2-[8-[[4-(dimethylaminomethyl)phenyl]carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[[4-(dimethylaminomethyl)phenyl]carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-[[4-(dimethylaminomethyl)phenyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[[4-(dimethylaminomethyl)anilino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[[4-(dimethylaminomethyl)phenyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-[[4-(dimethylaminomethyl)phenyl]carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C29H31N4O4- MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)[O-])CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)[O-])CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C29H32N4O4/c1-32(2)18-21-8-12-24(13-9-21)30-28(36)22-10-11-23-19-33(15-14-20-6-4-3-5-7-20)29(37)26(17-27(34)35)31-25(23)16-22/h3-13,16,26,31H,14-15,17-19H2,1-2H3,(H,30,36)(H,34,35)/p-1