[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-yl-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-(3-methoxyphenyl)-1-(2-pyrimidyl)-4-piperidyl]-(4-phenylpiperazino)methanone Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c1-34-24-10-5-7-22(21-24)27(11-15-32(16-12-27)26-28-13-6-14-29-26)25(33)31-19-17-30(18-20-31)23-8-3-2-4-9-23/h2-10,13-14,21H,11-12,15-20H2,1H3