2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-pyridin-3-yloxy-heptanenitrile

Systemtic Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-pyridin-3-yloxy-heptanenitrile Openeye Name: 2-isopropyl-2-phenyl-6-piperazin-1-yl-7-(3-pyridyloxy)heptanenitrile CAS Name: 2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-7-(3-pyridinyloxy)heptanenitrile IUPAC Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-pyridin-3-yloxyheptanenitrile Traditional Name: 2-isopropyl-2-phenyl-6-piperazino-7-(3-pyridyloxy)enanthonitrile Formula: C25H34N4O MolecularWeight: 406.56366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CN=CC=C1)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CN=CC=C1)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O/c1-21(2)25(20-26,22-8-4-3-5-9-22)12-6-10-23(29-16-14-27-15-17-29)19-30-24-11-7-13-28-18-24/h3-5,7-9,11,13,18,21,23,27H,6,10,12,14-17,19H2,1-2H3