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

Systemtic Name: 2-[4-[4-[(4-phenylpyridin-2-yl)amino]butyl]piperazin-1-yl]-6-propan-2-yloxy-benzenecarbonitrile Openeye Name: 2-isopropoxy-6-[4-[4-[(4-phenyl-2-pyridyl)amino]butyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[4-[(4-phenyl-2-pyridinyl)amino]butyl]-1-piperazinyl]-6-propan-2-yloxybenzonitrile IUPAC Name: 2-[4-[4-[(4-phenylpyridin-2-yl)amino]butyl]piperazin-1-yl]-6-propan-2-yloxybenzonitrile Traditional Name: 2-isopropoxy-6-[4-[4-[(4-phenyl-2-pyridyl)amino]butyl]piperazino]benzonitrile Formula: C29H35N5O MolecularWeight: 469.6211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1C#N)N2CCN(CC2)CCCCNC3=NC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1C#N)N2CCN(CC2)CCCCNC3=NC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N5O/c1-23(2)35-28-12-8-11-27(26(28)22-30)34-19-17-33(18-20-34)16-7-6-14-31-29-21-25(13-15-32-29)24-9-4-3-5-10-24/h3-5,8-13,15,21,23H,6-7,14,16-20H2,1-2H3,(H,31,32)