N-butan-2-yl-2-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide

Systemtic Name: N-butan-2-yl-2-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide Openeye Name: 2-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-pyrimidine-5-carboxamide CAS Name: N-butan-2-yl-2-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-5-pyrimidinecarboxamide IUPAC Name: N-butan-2-yl-2-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carboxamide Traditional Name: 2-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-pyrimidine-5-carboxamide Formula: C26H30FN5O2 MolecularWeight: 463.547103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)NC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN5O2/c1-4-18(2)29-26(33)21-17-28-24(19-9-11-20(27)12-10-19)30-25(21)32-15-13-31(14-16-32)22-7-5-6-8-23(22)34-3/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,33)