(E)-3-[4-(azepan-1-yl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acrylamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)NCC3=NN=C4N3C=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)NCC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C22H25N5O/c28-22(23-17-21-25-24-20-7-3-6-16-27(20)21)13-10-18-8-11-19(12-9-18)26-14-4-1-2-5-15-26/h3,6-13,16H,1-2,4-5,14-15,17H2,(H,23,28)/b13-10+