(4-nitrophenyl)-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone

Systemtic Name: (4-nitrophenyl)-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone Openeye Name: (4-nitrophenyl)-[1-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone CAS Name: (4-nitrophenyl)-[1-(3-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone IUPAC Name: (4-nitrophenyl)-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone Traditional Name: (4-nitrophenyl)-[1-(3-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CN=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CN=CC=C4

InChI

InChI=1S/C22H20N4O3/c27-22(18-8-10-19(11-9-18)26(28)29)25-14-4-13-24(16-17-5-3-12-23-15-17)20-6-1-2-7-21(20)25/h1-3,5-12,15H,4,13-14,16H2