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

Systemtic Name: 1-[1-[4-(4-aminophenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Openeye Name: 1-[2-[4-(4-aminophenyl)piperazin-1-yl]-1-methyl-ethyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one CAS Name: 1-[1-[4-(4-aminophenyl)-1-piperazinyl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one IUPAC Name: 1-[1-[4-(4-aminophenyl)piperazin-1-yl]propan-2-yl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Traditional Name: 1-[2-[4-(4-aminophenyl)piperazino]-1-methyl-ethyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Formula: C27H32N5O+ MolecularWeight: 442.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=C(C=C2)N)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=C(C=C2)N)[N+]3(CNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O/c1-21(19-30-15-17-31(18-16-30)23-13-11-22(28)12-14-23)32(24-7-3-2-4-8-24)20-29-27(33)25-9-5-6-10-26(25)32/h2-14,21H,15-20,28H2,1H3/p+1