2-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 2-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 2-phenyl-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-phenyl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 2-phenyl-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]butan-1-one Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-2-19(18-8-4-3-5-9-18)22(28)27-14-12-26(13-15-27)21-16-20(23-17-24-21)25-10-6-7-11-25/h3-5,8-9,16-17,19H,2,6-7,10-15H2,1H3