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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O/c29-23-15-17-24(18-16-23)32-27-14-8-7-13-25(27)26(19-21-9-3-1-4-10-21)30-31(28(32)33)20-22-11-5-2-6-12-22/h2,5-8,11-18,21H,1,3-4,9-10,19-20,29H2