5-(4-methoxyphenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(4-methoxyphenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(4-methoxyphenyl)-N-[(3S)-2-oxo-3-azepanyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(4-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazole-3-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-5-(4-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NC3CCCCNC3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)N[C@H]3CCCCNC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-30-18-12-10-16(11-13-18)20-15-21(27(26-20)17-7-3-2-4-8-17)23(29)25-19-9-5-6-14-24-22(19)28/h2-4,7-8,10-13,15,19H,5-6,9,14H2,1H3,(H,24,28)(H,25,29)/t19-/m0/s1