N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-ketoazepan-3-yl]cinchoninamide 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=NC4=CC=CC=C34)C

Isomeric SMILES

CC1=NN(C(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=NC4=CC=CC=C34)C

InChI

InChI=1S/C22H25N5O2/c1-15-13-16(26(2)25-15)14-27(20-9-5-6-11-24-21(20)28)22(29)18-10-12-23-19-8-4-3-7-17(18)19/h3-4,7-8,10,12-13,20H,5-6,9,11,14H2,1-2H3,(H,24,28)/t20-/m0/s1