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

Systemtic Name: 2-[2-azanyl-1-(3-phenylpropanoyl)-2-[4-(quinolin-2-ylmethoxy)phenyl]carbonyl-piperidin-4-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[2-amino-1-(3-phenylpropanoyl)-2-[4-(2-quinolylmethoxy)benzoyl]-4-piperidyl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[2-amino-1-(1-oxo-3-phenylpropyl)-2-[oxo-[4-(2-quinolinylmethoxy)phenyl]methyl]-4-piperidinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[2-amino-1-(3-phenylpropanoyl)-2-[4-(quinolin-2-ylmethoxy)benzoyl]piperidin-4-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[2-amino-1-hydrocinnamoyl-2-[4-(2-quinolylmethoxy)benzoyl]-4-piperidyl]-2-(3-pyridyl)acetonitrile Formula: C38H35N5O3 MolecularWeight: 609.7162

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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)N)C(=O)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(CC1C(C#N)C2=CN=CC=C2)(C(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)N)C(=O)CCC6=CC=CC=C6

InChI

InChI=1S/C38H35N5O3/c39-24-34(31-10-6-21-41-25-31)30-20-22-43(36(44)19-12-27-7-2-1-3-8-27)38(40,23-30)37(45)29-14-17-33(18-15-29)46-26-32-16-13-28-9-4-5-11-35(28)42-32/h1-11,13-18,21,25,30,34H,12,19-20,22-23,26,40H2