2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-quinolin-6-yloxy-heptanenitrile

Systemtic Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-quinolin-6-yloxy-heptanenitrile Openeye Name: 2-isopropyl-2-phenyl-6-piperazin-1-yl-7-(6-quinolyloxy)heptanenitrile CAS Name: 2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-7-(6-quinolinyloxy)heptanenitrile IUPAC Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-quinolin-6-yloxyheptanenitrile Traditional Name: 2-isopropyl-2-phenyl-6-piperazino-7-(6-quinolyloxy)enanthonitrile Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC2=C(C=C1)N=CC=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCC(COC1=CC2=C(C=C1)N=CC=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H36N4O/c1-23(2)29(22-30,25-9-4-3-5-10-25)14-6-11-26(33-18-16-31-17-19-33)21-34-27-12-13-28-24(20-27)8-7-15-32-28/h3-5,7-10,12-13,15,20,23,26,31H,6,11,14,16-19,21H2,1-2H3