5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C28H28N4O3 MolecularWeight: 468.54692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C28H28N4O3/c1-20-12-17-25-26(18-20)31(23-13-15-24(16-14-23)32(34)35)28(33)30(19-21-8-4-2-5-9-21)29-27(25)22-10-6-3-7-11-22/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19H2,1H3