[4-(3-piperidin-1-ylpropoxy)phenyl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(3-piperidin-1-ylpropoxy)phenyl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone Openeye Name: [4-[3-(1-piperidyl)propoxy]phenyl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone CAS Name: [4-[3-(1-piperidinyl)propoxy]phenyl]-[4-(4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-piperidin-1-ylpropoxy)phenyl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(3-piperidinopropoxy)phenyl]-[4-(4-pyrimidyl)piperazino]methanone Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=NC=C4

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=NC=C4

InChI

InChI=1S/C23H31N5O2/c29-23(28-16-14-27(15-17-28)22-9-10-24-19-25-22)20-5-7-21(8-6-20)30-18-4-13-26-11-2-1-3-12-26/h5-10,19H,1-4,11-18H2