5-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(1H-indol-3-ylmethyl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H34N4 MolecularWeight: 414.58566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CNC3=CC=CC=C32)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CNC3=CC=CC=C32)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4/c1-22(2)27(21-28,24-9-4-3-5-10-24)13-8-14-30-15-17-31(18-16-30)20-23-19-29-26-12-7-6-11-25(23)26/h3-7,9-12,19,22,29H,8,13-18,20H2,1-2H3