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

Systemtic Name: N-butyl-4-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: N-butyl-4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxamide CAS Name: N-butyl-4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: N-butyl-4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: N-butyl-4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxamide Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1C2=CC=CC=C2OC(C(=O)N1CC3=CC=C(C=C3)N(C)C)C(C)C

Isomeric SMILES

CCCCNC(=O)C1C2=CC=CC=C2OC(C(=O)N1CC3=CC=C(C=C3)N(C)C)C(C)C

InChI

InChI=1S/C26H35N3O3/c1-6-7-16-27-25(30)23-21-10-8-9-11-22(21)32-24(18(2)3)26(31)29(23)17-19-12-14-20(15-13-19)28(4)5/h8-15,18,23-24H,6-7,16-17H2,1-5H3,(H,27,30)