[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

Systemtic Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone Openeye Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-isopropylpyrazol-4-yl)-4-quinolyl]methanone CAS Name: [(3S)-3-(dimethylamino)-1-pyrrolidinyl]-[2-(1-propan-2-yl-4-pyrazolyl)-4-quinolinyl]methanone IUPAC Name: [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone Traditional Name: [(3S)-3-(dimethylamino)pyrrolidino]-[2-(1-isopropylpyrazol-4-yl)-4-quinolyl]methanone Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(C4)N(C)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[C@@H](C4)N(C)C

InChI

InChI=1S/C22H27N5O/c1-15(2)27-13-16(12-23-27)21-11-19(18-7-5-6-8-20(18)24-21)22(28)26-10-9-17(14-26)25(3)4/h5-8,11-13,15,17H,9-10,14H2,1-4H3/t17-/m0/s1