N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H28N4O3/c28-22(10-7-15-27-19-8-3-4-9-20(19)30-23(27)29)25-17-18-11-12-21(24-16-18)26-13-5-1-2-6-14-26/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15,17H2,(H,25,28)