6-[4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]carbonylpiperidin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[4-[(5-phenyl-2-thienyl)methyl]piperazine-1-carbonyl]-1-piperidyl]pyridine-3-carbonitrile CAS Name: 6-[4-[oxo-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]methyl]-1-piperidinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[4-[(5-phenylthiophen-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[4-[(5-phenyl-2-thienyl)methyl]piperazine-1-carbonyl]piperidino]nicotinonitrile Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4)C5=NC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C27H29N5OS/c28-18-21-6-9-26(29-19-21)31-12-10-23(11-13-31)27(33)32-16-14-30(15-17-32)20-24-7-8-25(34-24)22-4-2-1-3-5-22/h1-9,19,23H,10-17,20H2