N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-methyl-isoxazole-3-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C21H23N5O2/c1-15-13-19(25-28-15)21(27)22-17-8-6-7-16(14-17)18-9-10-20(24-23-18)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,27)