2-[4-methyl-3-oxidanylidene-7-(piperidin-3-ylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-(piperidin-3-ylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-7-(3-piperidylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-7-[oxo-(3-piperidinylmethylamino)methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-7-(piperidin-3-ylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-7-(3-piperidylmethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NCC3CCCNC3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NCC3CCCNC3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C19H26N4O4/c1-23-11-14-7-13(18(26)21-10-12-3-2-6-20-9-12)4-5-15(14)22-16(19(23)27)8-17(24)25/h4-5,7,12,16,20,22H,2-3,6,8-11H2,1H3,(H,21,26)(H,24,25)