[5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone Formula: C25H31N6O2+ MolecularWeight: 447.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC(=CC=C4)OC)C5CC5

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC(=CC=C4)OC)C5CC5

InChI

InChI=1S/C25H30N6O2/c1-17(2)29-11-13-30(14-12-29)24(32)21-16-27-31(23(21)18-7-8-18)25-26-10-9-22(28-25)19-5-4-6-20(15-19)33-3/h4-6,9-10,15-18H,7-8,11-14H2,1-3H3/p+1