4-[2-[1-methyl-4-oxidanyl-4-[[(4-propan-2-yloxyphenyl)amino]methyl]piperidin-2-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[1-methyl-4-oxidanyl-4-[[(4-propan-2-yloxyphenyl)amino]methyl]piperidin-2-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-hydroxy-4-[(4-isopropoxyanilino)methyl]-1-methyl-2-piperidyl]ethyl]benzonitrile CAS Name: 4-[2-[4-hydroxy-1-methyl-4-[(4-propan-2-yloxyanilino)methyl]-2-piperidinyl]ethyl]benzonitrile IUPAC Name: 4-[2-[4-hydroxy-1-methyl-4-[(4-propan-2-yloxyanilino)methyl]piperidin-2-yl]ethyl]benzonitrile Traditional Name: 4-[2-[4-hydroxy-4-[(4-isopropoxyanilino)methyl]-1-methyl-2-piperidyl]ethyl]benzonitrile Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NCC2(CCN(C(C2)CCC3=CC=C(C=C3)C#N)C)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NCC2(CCN(C(C2)CCC3=CC=C(C=C3)C#N)C)O

InChI

InChI=1S/C25H33N3O2/c1-19(2)30-24-12-9-22(10-13-24)27-18-25(29)14-15-28(3)23(16-25)11-8-20-4-6-21(17-26)7-5-20/h4-7,9-10,12-13,19,23,27,29H,8,11,14-16,18H2,1-3H3