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

Systemtic Name: 1-(4-aminophenyl)-3-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-3-benzyl-5-(1-piperidylmethyl)-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-3-(phenylmethyl)-5-(1-piperidinylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-3-benzyl-5-(piperidin-1-ylmethyl)-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-aminophenyl)-3-benzyl-5-(piperidinomethyl)-1,3,4-benzotriazepin-2-one Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)N)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CC2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c28-22-13-15-23(16-14-22)32-26-12-6-5-11-24(26)25(20-30-17-7-2-8-18-30)29-31(27(32)33)19-21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-20,28H2