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

Systemtic Name: 2-[4-methyl-8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-8-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-8-[[methyl-[2-(4-piperidinyl)ethyl]amino]-oxomethyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-8-[methyl(2-piperidin-4-ylethyl)carbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-8-[methyl-[2-(4-piperidyl)ethyl]carbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)C(=O)N(C)CCC3CCNCC3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=C(C=C2)C(=O)N(C)CCC3CCNCC3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H30N4O4/c1-24(10-7-14-5-8-22-9-6-14)20(28)15-3-4-16-13-25(2)21(29)18(12-19(26)27)23-17(16)11-15/h3-4,11,14,18,22-23H,5-10,12-13H2,1-2H3,(H,26,27)