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

Systemtic Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-3-benzyl-5-cyclohexyl-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-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=C(C=C4)N)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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