2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-phenylphenyl)-4-piperazin-1-yl-butanenitrile

Systemtic Name: 2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-phenylphenyl)-4-piperazin-1-yl-butanenitrile Openeye Name: 2-[2-(diisopropylamino)ethyl]-2-(4-phenylphenyl)-4-piperazin-1-yl-butanenitrile CAS Name: 2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-phenylphenyl)-4-(1-piperazinyl)butanenitrile IUPAC Name: 2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-phenylphenyl)-4-piperazin-1-ylbutanenitrile Traditional Name: 2-[2-(diisopropylamino)ethyl]-2-(4-phenylphenyl)-4-piperazino-butyronitrile Formula: C28H40N4 MolecularWeight: 432.644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(CCN1CCNCC1)(C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCC(CCN1CCNCC1)(C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C28H40N4/c1-23(2)32(24(3)4)19-15-28(22-29,14-18-31-20-16-30-17-21-31)27-12-10-26(11-13-27)25-8-6-5-7-9-25/h5-13,23-24,30H,14-21H2,1-4H3