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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-cyclopentylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-cyclopentylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-(4-cyclopentyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]-(4-cyclopentylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-cyclopentylpiperazin-4-ium-1-yl)methanone Formula: C27H31N6O3+ MolecularWeight: 487.57344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC6=C(C=C5)OCO6)C7CC7

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC6=C(C=C5)OCO6)C7CC7

InChI

InChI=1S/C27H30N6O3/c34-26(32-13-11-31(12-14-32)20-3-1-2-4-20)21-16-29-33(25(21)18-5-6-18)27-28-10-9-22(30-27)19-7-8-23-24(15-19)36-17-35-23/h7-10,15-16,18,20H,1-6,11-14,17H2/p+1