4-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline

Systemtic Name: 4-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline Openeye Name: 4-phenyl-2-[4-(2-pyridyl)piperazin-1-yl]-1,4,5,6-tetrahydrobenzo[h]quinazoline CAS Name: 4-phenyl-2-[4-(2-pyridinyl)-1-piperazinyl]-1,4,5,6-tetrahydrobenzo[h]quinazoline IUPAC Name: 4-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,4,5,6-tetrahydrobenzo[h]quinazoline Traditional Name: 4-phenyl-2-[4-(2-pyridyl)piperazino]-1,4,5,6-tetrahydrobenzo[h]quinazoline Formula: C27H27N5 MolecularWeight: 421.53678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)NC(=NC2C4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)NC(=NC2C4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C27H27N5/c1-2-9-21(10-3-1)25-23-14-13-20-8-4-5-11-22(20)26(23)30-27(29-25)32-18-16-31(17-19-32)24-12-6-7-15-28-24/h1-12,15,25H,13-14,16-19H2,(H,29,30)