[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [4-(2-methoxy-5-methyl-benzyl)piperazino]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-21-10-11-26(35-2)23(17-21)19-31-13-15-32(16-14-31)28(34)25-20-33(24-8-4-3-5-9-24)30-27(25)22-7-6-12-29-18-22/h3-12,17-18,20H,13-16,19H2,1-2H3