5-cyclohexyl-3-[(4-methoxyphenyl)methyl]-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-3-[(4-methoxyphenyl)methyl]-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-3-[(4-methoxyphenyl)methyl]-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-3-[(4-methoxyphenyl)methyl]-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-3-[(4-methoxyphenyl)methyl]-8-methyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-p-anisyl-1,3,4-benzotriazepin-2-one Formula: C29H30N4O4 MolecularWeight: 498.5729

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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=C(C=C4)OC)C5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4/c1-20-8-17-26-27(18-20)32(23-11-13-24(14-12-23)33(35)36)29(34)31(19-21-9-15-25(37-2)16-10-21)30-28(26)22-6-4-3-5-7-22/h8-18,22H,3-7,19H2,1-2H3