2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(3-methylphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C22H29N5O2/c1-17-6-5-7-19(14-17)29-18(2)22(28)27-12-10-26(11-13-27)21-15-20(23-16-24-21)25-8-3-4-9-25/h5-7,14-16,18H,3-4,8-13H2,1-2H3