6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone

Systemtic Name: 6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone Openeye Name: 6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone CAS Name: 6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone IUPAC Name: 6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone Traditional Name: 6a,7,8,9,10,12-hexahydro-6H-pyrido[2,1-c][1,4]benzodiazepin-5-yl-(4-nitrophenyl)methanone Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CC3=CC=CC=C3N(CC2C1)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN2CC3=CC=CC=C3N(CC2C1)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3/c24-20(15-8-10-17(11-9-15)23(25)26)22-14-18-6-3-4-12-21(18)13-16-5-1-2-7-19(16)22/h1-2,5,7-11,18H,3-4,6,12-14H2