3-[2-(4-phenylpiperazin-1-yl)-5,6-dihydro-4H-pyrimidin-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-phenylpiperazin-1-yl)-5,6-dihydro-4H-pyrimidin-1-yl]benzoic acid Openeye Name: 3-[2-(4-phenylpiperazin-1-yl)-5,6-dihydro-4H-pyrimidin-1-yl]benzoic acid CAS Name: 3-[2-(4-phenyl-1-piperazinyl)-5,6-dihydro-4H-pyrimidin-1-yl]benzoic acid IUPAC Name: 3-[2-(4-phenylpiperazin-1-yl)-5,6-dihydro-4H-pyrimidin-1-yl]benzoic acid Traditional Name: 3-[2-(4-phenylpiperazino)-5,6-dihydro-4H-pyrimidin-1-yl]benzoic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N(C1)C2=CC=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CN=C(N(C1)C2=CC=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c26-20(27)17-6-4-9-19(16-17)25-11-5-10-22-21(25)24-14-12-23(13-15-24)18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15H2,(H,26,27)