2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide Openeye Name: 2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide CAS Name: 2-(4-chlorophenyl)-5-(1-methyl-2-pyrrolyl)-N-[(3S)-2-oxo-3-azepanyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(3S)-2-ketoazepan-3-yl]-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NC3CCCCNC3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)N[C@H]3CCCCNC3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-26-12-4-6-18(26)17-13-19(27(25-17)15-9-7-14(22)8-10-15)21(29)24-16-5-2-3-11-23-20(16)28/h4,6-10,12-13,16H,2-3,5,11H2,1H3,(H,23,28)(H,24,29)/t16-/m0/s1