N-butyl-7-chloranyl-4-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide

Systemtic Name: N-butyl-7-chloranyl-4-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: N-butyl-7-chloro-4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxamide CAS Name: N-butyl-7-chloro-4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: N-butyl-7-chloro-4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: N-butyl-7-chloro-4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxamide Formula: C26H34ClN3O3 MolecularWeight: 472.01946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1C2=C(C=CC(=C2)Cl)OC(C(=O)N1CC3=CC=C(C=C3)N(C)C)C(C)C

Isomeric SMILES

CCCCNC(=O)C1C2=C(C=CC(=C2)Cl)OC(C(=O)N1CC3=CC=C(C=C3)N(C)C)C(C)C

InChI

InChI=1S/C26H34ClN3O3/c1-6-7-14-28-25(31)23-21-15-19(27)10-13-22(21)33-24(17(2)3)26(32)30(23)16-18-8-11-20(12-9-18)29(4)5/h8-13,15,17,23-24H,6-7,14,16H2,1-5H3,(H,28,31)