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

Systemtic Name: (4-nitrophenyl)-[1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone Openeye Name: (4-nitrophenyl)-[1-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone CAS Name: (4-nitrophenyl)-[1-(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone IUPAC Name: (4-nitrophenyl)-[1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone Traditional Name: (4-nitrophenyl)-[1-(2-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=CC=CC=N4

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=N4

InChI

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