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

Systemtic Name: 1-phenyl-1-[2-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroquinazolin-1-ium-4-one Openeye Name: 1-phenyl-1-[2-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroquinazolin-1-ium-4-one CAS Name: 1-phenyl-1-[2-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydroquinazolin-1-ium-4-one IUPAC Name: 1-phenyl-1-[2-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydroquinazolin-1-ium-4-one Traditional Name: 1-phenyl-1-[2-(4-phenylpiperazino)propyl]-2,3-dihydroquinazolin-1-ium-4-one Formula: C27H31N4O+ MolecularWeight: 427.56124

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O/c1-22(29-16-18-30(19-17-29)23-10-4-2-5-11-23)20-31(24-12-6-3-7-13-24)21-28-27(32)25-14-8-9-15-26(25)31/h2-15,22H,16-21H2,1H3/p+1