4-[2-[4-(4-propan-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-propan-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-isopropylpiperazine-1-carbonyl)-1-piperidyl]pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-[4-[oxo-(4-propan-2-yl-1-piperazinyl)methyl]-1-piperidinyl]-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-[4-(4-isopropylpiperazine-1-carbonyl)piperidino]pyrimidin-5-yl]benzonitrile Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C=N3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=C(C=N3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H30N6O/c1-18(2)28-11-13-29(14-12-28)23(31)21-7-9-30(10-8-21)24-26-16-22(17-27-24)20-5-3-19(15-25)4-6-20/h3-6,16-18,21H,7-14H2,1-2H3