2-[1-(2-azanyl-2-phenyl-ethanoyl)-2-[4-(quinolin-2-ylmethoxy)phenyl]carbonyl-piperidin-4-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[1-(2-azanyl-2-phenyl-ethanoyl)-2-[4-(quinolin-2-ylmethoxy)phenyl]carbonyl-piperidin-4-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[1-(2-amino-2-phenyl-acetyl)-2-[4-(2-quinolylmethoxy)benzoyl]-4-piperidyl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[1-(2-amino-1-oxo-2-phenylethyl)-2-[oxo-[4-(2-quinolinylmethoxy)phenyl]methyl]-4-piperidinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[1-(2-amino-2-phenylacetyl)-2-[4-(quinolin-2-ylmethoxy)benzoyl]piperidin-4-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[1-(2-amino-2-phenyl-acetyl)-2-[4-(2-quinolylmethoxy)benzoyl]-4-piperidyl]-2-(3-pyridyl)acetonitrile Formula: C37H33N5O3 MolecularWeight: 595.68962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(C#N)C2=CN=CC=C2)C(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)C(C6=CC=CC=C6)N

Isomeric SMILES

C1CN(C(CC1C(C#N)C2=CN=CC=C2)C(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)C(C6=CC=CC=C6)N

InChI

InChI=1S/C37H33N5O3/c38-22-32(29-10-6-19-40-23-29)28-18-20-42(37(44)35(39)26-8-2-1-3-9-26)34(21-28)36(43)27-13-16-31(17-14-27)45-24-30-15-12-25-7-4-5-11-33(25)41-30/h1-17,19,23,28,32,34-35H,18,20-21,24,39H2