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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-methyl-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-phenylpyrazole-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C27H28N6O/c1-32-25(19-24(31-32)20-10-5-4-6-11-20)27(34)28-22-13-9-12-21(18-22)23-14-15-26(30-29-23)33-16-7-2-3-8-17-33/h4-6,9-15,18-19H,2-3,7-8,16-17H2,1H3,(H,28,34)