2-methyl-4-(1-phenyl-3-piperazin-1-yl-nonan-4-yl)benzenecarbonitrile

Systemtic Name: 2-methyl-4-(1-phenyl-3-piperazin-1-yl-nonan-4-yl)benzenecarbonitrile Openeye Name: 2-methyl-4-[1-(3-phenyl-1-piperazin-1-yl-propyl)hexyl]benzonitrile CAS Name: 2-methyl-4-[1-phenyl-3-(1-piperazinyl)nonan-4-yl]benzonitrile IUPAC Name: 2-methyl-4-(1-phenyl-3-piperazin-1-ylnonan-4-yl)benzonitrile Traditional Name: 2-methyl-4-[1-(3-phenyl-1-piperazino-propyl)hexyl]benzonitrile Formula: C27H37N3 MolecularWeight: 403.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)C(CCC2=CC=CC=C2)N3CCNCC3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)C(CCC2=CC=CC=C2)N3CCNCC3

InChI

InChI=1S/C27H37N3/c1-3-4-6-11-26(24-13-14-25(21-28)22(2)20-24)27(30-18-16-29-17-19-30)15-12-23-9-7-5-8-10-23/h5,7-10,13-14,20,26-27,29H,3-4,6,11-12,15-19H2,1-2H3