2-methyl-6-[4-[4-[(4-phenylpyridin-2-yl)amino]butyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-methyl-6-[4-[4-[(4-phenylpyridin-2-yl)amino]butyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-methyl-6-[4-[4-[(4-phenyl-2-pyridyl)amino]butyl]piperazin-1-yl]benzonitrile CAS Name: 2-methyl-6-[4-[4-[(4-phenyl-2-pyridinyl)amino]butyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-methyl-6-[4-[4-[(4-phenylpyridin-2-yl)amino]butyl]piperazin-1-yl]benzonitrile Traditional Name: 2-methyl-6-[4-[4-[(4-phenyl-2-pyridyl)amino]butyl]piperazino]benzonitrile Formula: C27H31N5 MolecularWeight: 425.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCNC3=NC=CC(=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCNC3=NC=CC(=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H31N5/c1-22-8-7-11-26(25(22)21-28)32-18-16-31(17-19-32)15-6-5-13-29-27-20-24(12-14-30-27)23-9-3-2-4-10-23/h2-4,7-12,14,20H,5-6,13,15-19H2,1H3,(H,29,30)