3-azanyl-1-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-oxo-2-(3-pyridyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-oxo-2-(3-pyridinyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(2-oxo-2-pyridin-3-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-keto-2-(3-pyridyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CN=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)C4=CN=CC=C4)N

InChI

InChI=1S/C22H18N4O2/c23-21-22(28)26(14-19(27)16-9-6-12-24-13-16)18-11-5-4-10-17(18)20(25-21)15-7-2-1-3-8-15/h1-13,21H,14,23H2