6-(3-fluorophenyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-N-propan-2-yl-pyridine-3-carboxamide

Systemtic Name: 6-(3-fluorophenyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-N-propan-2-yl-pyridine-3-carboxamide Openeye Name: 6-(3-fluorophenyl)-N-isopropyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide CAS Name: 6-(3-fluorophenyl)-N-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-N-propan-2-yl-3-pyridinecarboxamide IUPAC Name: 6-(3-fluorophenyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-N-propan-2-ylpyridine-3-carboxamide Traditional Name: 6-(3-fluorophenyl)-N-isopropyl-N-[4-[[(3S)-3-methylpiperazino]methyl]phenyl]nicotinamide Formula: C27H31FN4O MolecularWeight: 446.559643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=C(C=C2)N(C(C)C)C(=O)C3=CN=C(C=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=CC=C(C=C2)N(C(C)C)C(=O)C3=CN=C(C=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H31FN4O/c1-19(2)32(25-10-7-21(8-11-25)18-31-14-13-29-20(3)17-31)27(33)23-9-12-26(30-16-23)22-5-4-6-24(28)15-22/h4-12,15-16,19-20,29H,13-14,17-18H2,1-3H3/t20-/m0/s1