4-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-(pyridin-3-ylmethylamino)-1,3,4-benzotriazepin-5-one

Systemtic Name: 4-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-(pyridin-3-ylmethylamino)-1,3,4-benzotriazepin-5-one Openeye Name: 4-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-(3-pyridylmethylamino)-1,3,4-benzotriazepin-5-one CAS Name: 4-methyl-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-(3-pyridinylmethylamino)-1,3,4-benzotriazepin-5-one IUPAC Name: 4-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-(pyridin-3-ylmethylamino)-1,3,4-benzotriazepin-5-one Traditional Name: 4-methyl-3-[3-(4-phenylpiperazino)propyl]-2-(3-pyridylmethylamino)-1,3,4-benzotriazepin-5-one Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C(N1CCCN3CCN(CC3)C4=CC=CC=C4)NCC5=CN=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C(N1CCCN3CCN(CC3)C4=CC=CC=C4)NCC5=CN=CC=C5

InChI

InChI=1S/C28H33N7O/c1-32-27(36)25-12-5-6-13-26(25)31-28(30-22-23-9-7-14-29-21-23)35(32)16-8-15-33-17-19-34(20-18-33)24-10-3-2-4-11-24/h2-7,9-14,21H,8,15-20,22H2,1H3,(H,30,31)