N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NCC2=CN=C(C=C2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NCC2=CN=C(C=C2)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-30-20-17-28(19-9-5-4-6-10-19)26-22(20)23(29)25-16-18-11-12-21(24-15-18)27-13-7-2-3-8-14-27/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3,(H,25,29)