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

Systemtic Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-3-benzyl-5-cyclohexyl-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-3-benzyl-5-cyclohexyl-8-methyl-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-aminophenyl)-3-benzyl-5-cyclohexyl-8-methyl-1,3,4-benzotriazepin-2-one Formula: C28H30N4O MolecularWeight: 438.564

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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)CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O/c1-20-12-17-25-26(18-20)32(24-15-13-23(29)14-16-24)28(33)31(19-21-8-4-2-5-9-21)30-27(25)22-10-6-3-7-11-22/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19,29H2,1H3