2-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[methyl-[2-(3-pyridyl)quinazolin-4-yl]amino]ethanone CAS Name: 2-[methyl-[2-(3-pyridinyl)-4-quinazolinyl]amino]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[methyl-(2-pyridin-3-ylquinazolin-4-yl)amino]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[methyl-[2-(3-pyridyl)quinazolin-4-yl]amino]ethanone Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H28N6O/c1-31(20-25(34)33-16-14-32(15-17-33)19-21-8-3-2-4-9-21)27-23-11-5-6-12-24(23)29-26(30-27)22-10-7-13-28-18-22/h2-13,18H,14-17,19-20H2,1H3