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

Systemtic Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[4-(dimethylamino)butylamino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[4-(dimethylamino)butylcarbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C26H34N4O4 MolecularWeight: 466.57256

Click to see the large picture

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)