6-(4-cyanophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

Systemtic Name: 6-(4-cyanophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Openeye Name: 6-(4-cyanophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide CAS Name: 6-(4-cyanophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-cyanophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Traditional Name: 6-(4-cyanophenyl)-N,2-dimethyl-N-[4-[[(3S)-3-methylpiperazino]methyl]phenyl]nicotinamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/c1-19-17-32(15-14-29-19)18-22-6-10-24(11-7-22)31(3)27(33)25-12-13-26(30-20(25)2)23-8-4-21(16-28)5-9-23/h4-13,19,29H,14-15,17-18H2,1-3H3/t19-/m0/s1