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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-phenyl-isoxazole-3-carboxamide Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NOC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=NOC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O2/c32-26(23-18-24(33-30-23)19-9-4-3-5-10-19)27-21-12-8-11-20(17-21)22-13-14-25(29-28-22)31-15-6-1-2-7-16-31/h3-5,8-14,17-18H,1-2,6-7,15-16H2,(H,27,32)