[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone

Systemtic Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone Openeye Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-ethyl-2-(1H-pyrazol-4-yl)-4-quinolyl]methanone CAS Name: [(3S)-3-(dimethylamino)-1-pyrrolidinyl]-[6-ethyl-2-(1H-pyrazol-4-yl)-4-quinolinyl]methanone IUPAC Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone Traditional Name: [(3S)-3-(dimethylamino)pyrrolidino]-[6-ethyl-2-(1H-pyrazol-4-yl)-4-quinolyl]methanone Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(C3)N(C)C)C4=CNN=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[C@@H](C3)N(C)C)C4=CNN=C4

InChI

InChI=1S/C21H25N5O/c1-4-14-5-6-19-17(9-14)18(10-20(24-19)15-11-22-23-12-15)21(27)26-8-7-16(13-26)25(2)3/h5-6,9-12,16H,4,7-8,13H2,1-3H3,(H,22,23)/t16-/m0/s1