N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-3-(2-pyrimidylamino)benzamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)N4CCCCC4

InChI

InChI=1S/C25H29N5O2/c1-32-22-11-9-19(10-12-22)23(30-15-3-2-4-16-30)18-28-24(31)20-7-5-8-21(17-20)29-25-26-13-6-14-27-25/h5-14,17,23H,2-4,15-16,18H2,1H3,(H,28,31)(H,26,27,29)