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

Systemtic Name: 2-[7-chloranyl-5-[3-(2-dimethylaminoethyloxy)-2-methoxy-phenyl]-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]ethanamide hydrochloride Openeye Name: 2-[7-chloro-5-[3-(2-dimethylaminoethyloxy)-2-methoxy-phenyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride CAS Name: 2-[7-chloro-5-[3-(2-dimethylaminoethyloxy)-2-methoxyphenyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride IUPAC Name: 2-[7-chloro-5-[3-(2-dimethylaminoethyloxy)-2-methoxyphenyl]-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-[(2-fluorophenyl)methyl]acetamide hydrochloride Traditional Name: 2-[7-chloro-5-[3-(2-dimethylaminoethyloxy)-2-methoxy-phenyl]-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]-N-(2-fluorobenzyl)acetamide hydrochloride Formula: C34H42Cl2FN3O5 MolecularWeight: 662.618783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=CC=C3F)C4=C(C(=CC=C4)OCCN(C)C)OC.Cl

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=CC=C3F)C4=C(C(=CC=C4)OCCN(C)C)OC.Cl

InChI

InChI=1S/C34H41ClFN3O5.ClH/c1-34(2,3)21-39-27-15-14-23(35)18-25(27)31(24-11-9-13-28(32(24)42-6)43-17-16-38(4)5)44-29(33(39)41)19-30(40)37-20-22-10-7-8-12-26(22)36;/h7-15,18,29,31H,16-17,19-21H2,1-6H3,(H,37,40);1H