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

Systemtic Name: 5-cyclohexyl-1-(3-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-cyclohexyl-1-(3-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-(3-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-cyclohexyl-1-(3-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-cyclohexyl-1-(3-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(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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