[(3S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium

Systemtic Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium Openeye Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium CAS Name: [(3S)-1-[[5-cyclopropyl-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-diethylammonium IUPAC Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethylazanium Traditional Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium Formula: C26H33N6O2+ MolecularWeight: 461.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4OC)C5CC5

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CC=C4OC)C5CC5

InChI

InChI=1S/C26H32N6O2/c1-4-30(5-2)19-13-15-31(17-19)25(33)21-16-28-32(24(21)18-10-11-18)26-27-14-12-22(29-26)20-8-6-7-9-23(20)34-3/h6-9,12,14,16,18-19H,4-5,10-11,13,15,17H2,1-3H3/p+1/t19-/m0/s1