2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[[4-(dimethylamino)butylamino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C26H33N4O4- MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCNC(=O)C1=CC2=C(CN(C(=O)C(N2)CC(=O)[O-])CCC3=CC=CC=C3)C=C1

Isomeric SMILES

CN(C)CCCCNC(=O)C1=CC2=C(CN(C(=O)C(N2)CC(=O)[O-])CCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C26H34N4O4/c1-29(2)14-7-6-13-27-25(33)20-10-11-21-18-30(15-12-19-8-4-3-5-9-19)26(34)23(17-24(31)32)28-22(21)16-20/h3-5,8-11,16,23,28H,6-7,12-15,17-18H2,1-2H3,(H,27,33)(H,31,32)/p-1