2-[7-chloranyl-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide hydrochloride

Systemtic Name: 2-[7-chloranyl-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide hydrochloride Openeye Name: 2-[7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride CAS Name: 2-[7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride IUPAC Name: 2-[7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride Traditional Name: 2-[7-chloro-1-(2,4-dimethoxybenzyl)-2-keto-5-[2-methoxy-3-[3-(3-phenylpropylamino)propoxy]phenyl]-5H-4,1-benzoxazepin-3-yl]-N-(2-fluorobenzyl)acetamide hydrochloride Formula: C46H50Cl2FN3O7 MolecularWeight: 846.809503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC(=O)NCC4=CC=CC=C4F)C5=C(C(=CC=C5)OCCCNCCCC6=CC=CC=C6)OC)OC.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC(=O)NCC4=CC=CC=C4F)C5=C(C(=CC=C5)OCCCNCCCC6=CC=CC=C6)OC)OC.Cl

InChI

InChI=1S/C46H49ClFN3O7.ClH/c1-54-35-21-19-33(41(27-35)55-2)30-51-39-22-20-34(47)26-37(39)44(58-42(46(51)53)28-43(52)50-29-32-15-7-8-17-38(32)48)36-16-9-18-40(45(36)56-3)57-25-11-24-49-23-10-14-31-12-5-4-6-13-31;/h4-9,12-13,15-22,26-27,42,44,49H,10-11,14,23-25,28-30H2,1-3H3,(H,50,52);1H