3-[[1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridin-2-yl]carbonylpiperidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridin-2-yl]carbonylpiperidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]-4-piperidyl]amino]benzonitrile CAS Name: 3-[[1-[[3-[4-[[(3S,5R)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-2-pyridinyl]-oxomethyl]-4-piperidinyl]amino]benzonitrile IUPAC Name: 3-[[1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]piperidin-4-yl]amino]benzonitrile Traditional Name: 3-[[1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazino]methyl]phenyl]picolinoyl]-4-piperidyl]amino]benzonitrile Formula: C31H36N6O MolecularWeight: 508.65714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)N4CCC(CC4)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)N4CCC(CC4)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C31H36N6O/c1-22-19-36(20-23(2)34-22)21-24-8-10-26(11-9-24)29-7-4-14-33-30(29)31(38)37-15-12-27(13-16-37)35-28-6-3-5-25(17-28)18-32/h3-11,14,17,22-23,27,34-35H,12-13,15-16,19-21H2,1-2H3/t22-,23+