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

Systemtic Name: 5-(cyclohexylmethyl)-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-(cyclohexylmethyl)-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-(cyclohexylmethyl)-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-(cyclohexylmethyl)-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-(cyclohexylmethyl)-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-28-30(20-22-11-5-2-6-12-22)29-26(19-21-9-3-1-4-10-21)25-13-7-8-14-27(25)31(28)23-15-17-24(18-16-23)32(34)35/h2,5-8,11-18,21H,1,3-4,9-10,19-20H2