6-[4-(2-oxidanyl-3-phenylmethoxy-propyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(2-oxidanyl-3-phenylmethoxy-propyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(3-benzyloxy-2-hydroxy-propyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2-hydroxy-3-phenylmethoxypropyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(3-benzoxy-2-hydroxy-propyl)piperazino]nicotinonitrile Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CC=C2)O)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CC=C2)O)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H24N4O2/c21-12-18-6-7-20(22-13-18)24-10-8-23(9-11-24)14-19(25)16-26-15-17-4-2-1-3-5-17/h1-7,13,19,25H,8-11,14-16H2