[1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl] N-methylcarbamate

Systemtic Name: [1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl] N-methylcarbamate Openeye Name: [1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propyl-indol-5-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propyl-5-indolyl] ester IUPAC Name: [1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-propylindol-5-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [1-[4-(5-methoxypyrimidin-4-yl)piperazino]-2-propyl-indol-5-yl] ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)OC(=O)NC

Isomeric SMILES

CCCC1=CC2=C(N1N3CCN(CC3)C4=NC=NC=C4OC)C=CC(=C2)OC(=O)NC

InChI

InChI=1S/C22H28N6O3/c1-4-5-17-12-16-13-18(31-22(29)23-2)6-7-19(16)28(17)27-10-8-26(9-11-27)21-20(30-3)14-24-15-25-21/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,23,29)