N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H28N4O2/c1-26-13-9-12-20(26)21(27-14-7-2-3-8-15-27)17-24-23(28)19-16-22(29-25-19)18-10-5-4-6-11-18/h4-6,9-13,16,21H,2-3,7-8,14-15,17H2,1H3,(H,24,28)