3-[2-[4-[4-cyano-5-methyl-4-(1-methylpyrrol-2-yl)hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-[2-[4-[4-cyano-5-methyl-4-(1-methylpyrrol-2-yl)hexyl]piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-5-methyl-4-(1-methylpyrrol-2-yl)hexyl]piperazin-1-yl]ethoxy]benzonitrile CAS Name: 3-[2-[4-[4-cyano-5-methyl-4-(1-methyl-2-pyrrolyl)hexyl]-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-[2-[4-[4-cyano-5-methyl-4-(1-methylpyrrol-2-yl)hexyl]piperazin-1-yl]ethoxy]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-5-methyl-4-(1-methylpyrrol-2-yl)hexyl]piperazino]ethoxy]benzonitrile Formula: C26H35N5O MolecularWeight: 433.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CN3C

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=C2)C#N)(C#N)C3=CC=CN3C

InChI

InChI=1S/C26H35N5O/c1-22(2)26(21-28,25-9-5-11-29(25)3)10-6-12-30-13-15-31(16-14-30)17-18-32-24-8-4-7-23(19-24)20-27/h4-5,7-9,11,19,22H,6,10,12-18H2,1-3H3