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

Systemtic Name: 1-[2-[4-(2-aminophenyl)piperazin-1-yl]propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Openeye Name: 1-[2-[4-(2-aminophenyl)piperazin-1-yl]propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one CAS Name: 1-[2-[4-(2-aminophenyl)-1-piperazinyl]propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one IUPAC Name: 1-[2-[4-(2-aminophenyl)piperazin-1-yl]propyl]-1-phenyl-2,3-dihydroquinazolin-1-ium-4-one Traditional Name: 1-[2-[4-(2-aminophenyl)piperazino]propyl]-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(C[N+]1(CNC(=O)C2=CC=CC=C21)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5N

Isomeric SMILES

CC(C[N+]1(CNC(=O)C2=CC=CC=C21)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5N

InChI

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