4-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]piperidine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[4-[(1-propan-2-yl-4-piperidinyl)oxy]phenyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]piperidine-1-carbonyl]benzonitrile Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)OC2=CC=C(C=C2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)N1CCC(CC1)OC2=CC=C(C=C2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H33N3O2/c1-20(2)29-17-13-26(14-18-29)32-25-9-7-22(8-10-25)23-11-15-30(16-12-23)27(31)24-5-3-21(19-28)4-6-24/h3-10,20,23,26H,11-18H2,1-2H3