7-isoquinolin-5-yloxy-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-isoquinolin-5-yloxy-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-isopropyl-7-(5-isoquinolyloxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(5-isoquinolinyloxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-isoquinolin-5-yloxy-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 2-isopropyl-7-(5-isoquinolyloxy)-2-phenyl-6-piperazino-enanthonitrile Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC2=C1C=CN=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC2=C1C=CN=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)14-7-11-26(33-18-16-31-17-19-33)21-34-28-12-6-8-24-20-32-15-13-27(24)28/h3-6,8-10,12-13,15,20,23,26,31H,7,11,14,16-19,21H2,1-2H3