5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-[(1-methyl-2-indolyl)methyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[(1-methylindol-2-yl)methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-[(1-methylindol-2-yl)methyl]piperazino]-2-phenyl-valeronitrile Formula: C28H36N4 MolecularWeight: 428.61224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4/c1-23(2)28(22-29,25-11-5-4-6-12-25)14-9-15-31-16-18-32(19-17-31)21-26-20-24-10-7-8-13-27(24)30(26)3/h4-8,10-13,20,23H,9,14-19,21H2,1-3H3