1-[2-(3-chlorophenyl)-1-piperazin-1-yl-propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one

Systemtic Name: 1-[2-(3-chlorophenyl)-1-piperazin-1-yl-propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Openeye Name: 1-[2-(3-chlorophenyl)-1-piperazin-1-yl-propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one CAS Name: 1-[2-(3-chlorophenyl)-1-(1-piperazinyl)propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one IUPAC Name: 1-[2-(3-chlorophenyl)-1-piperazin-1-ylpropyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Traditional Name: 1-[2-(3-chlorophenyl)-1-piperazino-propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Formula: C27H30ClN4O+ MolecularWeight: 462.0063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)C(N2CCNCC2)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC(=CC=C1)Cl)C(N2CCNCC2)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4O/c1-20(21-8-7-9-22(28)18-21)27(31-16-14-29-15-17-31)32(23-10-3-2-4-11-23)19-30-26(33)24-12-5-6-13-25(24)32/h2-13,18,20,27,29H,14-17,19H2,1H3/p+1