2-(4-hydroxyphenyl)-5-[2-[methyl(phenethyl)amino]piperidin-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 2-(4-hydroxyphenyl)-5-[2-[methyl(phenethyl)amino]piperidin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 2-(4-hydroxyphenyl)-5-[2-[methyl(phenethyl)amino]piperidine-1-carbonyl]benzonitrile CAS Name: 2-(4-hydroxyphenyl)-5-[[2-[methyl(phenethyl)amino]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 2-(4-hydroxyphenyl)-5-[2-[methyl(phenethyl)amino]piperidine-1-carbonyl]benzonitrile Traditional Name: 2-(4-hydroxyphenyl)-5-[2-[methyl(phenethyl)amino]piperidine-1-carbonyl]benzonitrile Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCCCN2C(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)O)C#N

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCCCN2C(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)O)C#N

InChI

InChI=1S/C28H29N3O2/c1-30(18-16-21-7-3-2-4-8-21)27-9-5-6-17-31(27)28(33)23-12-15-26(24(19-23)20-29)22-10-13-25(32)14-11-22/h2-4,7-8,10-15,19,27,32H,5-6,9,16-18H2,1H3