2-[7-[bis(2-pyridin-4-ylethyl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[bis(2-pyridin-4-ylethyl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[bis[2-(4-pyridyl)ethyl]carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[[bis(2-pyridin-4-ylethyl)amino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[bis(2-pyridin-4-ylethyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[bis[2-(4-pyridyl)ethyl]carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N(CCC3=CC=NC=C3)CCC4=CC=NC=C4)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N(CCC3=CC=NC=C3)CCC4=CC=NC=C4)NC(C1=O)CC(=O)O

InChI

InChI=1S/C27H29N5O4/c1-31-18-22-16-21(2-3-23(22)30-24(27(31)36)17-25(33)34)26(35)32(14-8-19-4-10-28-11-5-19)15-9-20-6-12-29-13-7-20/h2-7,10-13,16,24,30H,8-9,14-15,17-18H2,1H3,(H,33,34)