N-[[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]methyl]ethanamide

Systemtic Name: N-[[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]methyl]ethanamide Openeye Name: N-[[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]methyl]acetamide CAS Name: N-[[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]methyl]acetamide IUPAC Name: N-[[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]methyl]acetamide Traditional Name: N-[3-(2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)benzyl]acetamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=CC(=C1)C2=NCC(=O)N(C3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CC(=O)NCC1=CC=CC(=C1)C2=NCC(=O)N(C3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C21H23N3O4/c1-13(25)22-11-14-6-5-7-15(8-14)21-16-9-18(27-3)19(28-4)10-17(16)24(2)20(26)12-23-21/h5-10H,11-12H2,1-4H3,(H,22,25)