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

Systemtic Name: 6-(3-cyanophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Openeye Name: 6-(3-cyanophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide CAS Name: 6-(3-cyanophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 6-(3-cyanophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Traditional Name: 6-(3-cyanophenoxy)-N-methyl-N-[3-methyl-4-[[(3S)-3-methylpiperazino]methyl]phenyl]nicotinamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=C(C=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)OC4=CC=CC(=C4)C#N)C

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=C(C=C(C=C2)N(C)C(=O)C3=CN=C(C=C3)OC4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C27H29N5O2/c1-19-13-24(9-7-23(19)18-32-12-11-29-20(2)17-32)31(3)27(33)22-8-10-26(30-16-22)34-25-6-4-5-21(14-25)15-28/h4-10,13-14,16,20,29H,11-12,17-18H2,1-3H3/t20-/m0/s1