2-[8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-isopropyl-8-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[methyl-[2-(4-piperidinyl)ethyl]amino]-oxomethyl]-3-oxo-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxo-4-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[4-isopropyl-3-keto-8-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C23H34N4O4 MolecularWeight: 430.54046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(C=C(C=C2)C(=O)N(C)CCC3CCNCC3)NC(C1=O)CC(=O)O

Isomeric SMILES

CC(C)N1CC2=C(C=C(C=C2)C(=O)N(C)CCC3CCNCC3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C23H34N4O4/c1-15(2)27-14-18-5-4-17(12-19(18)25-20(23(27)31)13-21(28)29)22(30)26(3)11-8-16-6-9-24-10-7-16/h4-5,12,15-16,20,24-25H,6-11,13-14H2,1-3H3,(H,28,29)