(4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(4-nitrophenyl)methanone Openeye Name: (4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(4-nitrophenyl)methanone CAS Name: (4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(4-nitrophenyl)methanone IUPAC Name: (4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(4-nitrophenyl)methanone Traditional Name: (4-cyclohexyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(4-nitrophenyl)methanone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(C3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2CCN(C3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-22(17-10-12-20(13-11-17)25(27)28)24-15-14-23(19-7-2-1-3-8-19)16-18-6-4-5-9-21(18)24/h4-6,9-13,19H,1-3,7-8,14-16H2