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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-28-30(19-22-15-17-24(18-16-22)32(34)35)26-14-8-7-13-25(26)27(23-11-5-2-6-12-23)29-31(28)20-21-9-3-1-4-10-21/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19-20H2