N-(2-methylphenyl)-3-oxidanyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxamide

Systemtic Name: N-(2-methylphenyl)-3-oxidanyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxamide Openeye Name: 3-hydroxy-N-(o-tolyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxamide CAS Name: 3-hydroxy-N-(2-methylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-naphthalenecarboxamide IUPAC Name: 3-hydroxy-N-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]naphthalene-2-carboxamide Traditional Name: 3-hydroxy-N-(o-tolyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]-2-naphthamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H27N5O2/c1-19-7-2-5-10-24(19)30-26(34)22-17-20-8-3-4-9-21(20)23(25(22)33)18-31-13-15-32(16-14-31)27-28-11-6-12-29-27/h2-12,17,33H,13-16,18H2,1H3,(H,30,34)