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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-cyclopropyl-1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCC5)C6CC6

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCC5)C6CC6

InChI

InChI=1S/C27H32N6O2/c1-35-22-8-4-5-20(17-22)24-11-12-28-27(30-24)33-25(19-9-10-19)23(18-29-33)26(34)32-15-13-31(14-16-32)21-6-2-3-7-21/h4-5,8,11-12,17-19,21H,2-3,6-7,9-10,13-16H2,1H3/p+1