2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C24H29N6O3+ MolecularWeight: 449.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C24H28N6O3/c1-3-29(4-2)12-11-25-23(31)18-14-27-30(22(18)16-5-6-16)24-26-10-9-19(28-24)17-7-8-20-21(13-17)33-15-32-20/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H,25,31)/p+1