1-(4-nitrophenyl)carbonyl-5-(pyridin-3-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 1-(4-nitrophenyl)carbonyl-5-(pyridin-3-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 1-(4-nitrobenzoyl)-5-(3-pyridylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 1-[(4-nitrophenyl)-oxomethyl]-5-(3-pyridinylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 1-(4-nitrobenzoyl)-5-(pyridin-3-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 1-(4-nitrobenzoyl)-5-(3-pyridylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2N(C1=O)CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1=O)CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c27-21-11-13-24(22(28)17-7-9-18(10-8-17)26(29)30)19-5-1-2-6-20(19)25(21)15-16-4-3-12-23-14-16/h1-10,12,14H,11,13,15H2