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

Systemtic Name: 1-(3-aminophenyl)-5-cyclohexyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(3-aminophenyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(3-aminophenyl)-5-cyclohexyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(3-aminophenyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one Traditional Name: 1-(3-aminophenyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC(=CC=C4)N)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC(=CC=C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c28-22-14-9-15-23(18-22)31-25-17-8-7-16-24(25)26(21-12-5-2-6-13-21)29-30(27(31)32)19-20-10-3-1-4-11-20/h1,3-4,7-11,14-18,21H,2,5-6,12-13,19,28H2