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

Systemtic Name: 4-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazoline Openeye Name: 4-(4-chlorophenyl)-2-[4-(2-pyridyl)piperazin-1-yl]-5,6-dihydrobenzo[h]quinazoline CAS Name: 4-(4-chlorophenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]-5,6-dihydrobenzo[h]quinazoline IUPAC Name: 4-(4-chlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazoline Traditional Name: 4-(4-chlorophenyl)-2-[4-(2-pyridyl)piperazino]-5,6-dihydrobenzo[h]quinazoline Formula: C27H24ClN5 MolecularWeight: 453.96596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(N=C(N=C2C3=CC=CC=C31)N4CCN(CC4)C5=CC=CC=N5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CC2=C(N=C(N=C2C3=CC=CC=C31)N4CCN(CC4)C5=CC=CC=N5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H24ClN5/c28-21-11-8-20(9-12-21)25-23-13-10-19-5-1-2-6-22(19)26(23)31-27(30-25)33-17-15-32(16-18-33)24-7-3-4-14-29-24/h1-9,11-12,14H,10,13,15-18H2