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

Systemtic Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-(1-methyl-2-pyrrolyl)-N-[(3S)-2-oxo-3-azepanyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[(3S)-2-ketoazepan-3-yl]-5-(1-methylpyrrol-2-yl)pyrazole-3-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CN3C)C(=O)NC4CCCCNC4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CN3C)C(=O)N[C@H]4CCCCNC4=O)C

InChI

InChI=1S/C23H27N5O2/c1-15-9-10-19(16(2)13-15)28-21(14-18(26-28)20-8-6-12-27(20)3)23(30)25-17-7-4-5-11-24-22(17)29/h6,8-10,12-14,17H,4-5,7,11H2,1-3H3,(H,24,29)(H,25,30)/t17-/m0/s1