5-cyclohexyl-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-cyclohexyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-cyclohexyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-cyclohexyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-27-29(19-20-9-3-1-4-10-20)28-26(21-11-5-2-6-12-21)24-13-7-8-14-25(24)30(27)22-15-17-23(18-16-22)31(33)34/h1,3-4,7-10,13-18,21H,2,5-6,11-12,19H2