N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-8-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-8-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-8-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-8-quinolinecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-8-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-ketoazepan-3-yl]quinoline-8-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C22H25N5O2/c1-15-13-17(26(2)25-15)14-27(19-10-3-4-11-24-21(19)28)22(29)18-9-5-7-16-8-6-12-23-20(16)18/h5-9,12-13,19H,3-4,10-11,14H2,1-2H3,(H,24,28)/t19-/m0/s1