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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)N)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O/c29-24-17-15-22(16-18-24)19-31-26-14-8-7-13-25(26)27(23-11-5-2-6-12-23)30-32(28(31)33)20-21-9-3-1-4-10-21/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19-20,29H2