4-(4-ethylpiperazin-1-yl)-2-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-(4-ethylpiperazin-1-yl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(4-ethyl-1-piperazinyl)-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-(4-ethylpiperazino)-2-phenyl-pyrimidine-5-carboxamide Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N6O/c1-2-33-17-19-35(20-18-33)28-26(21-30-27(32-28)24-11-7-4-8-12-24)29(36)31-25-13-15-34(16-14-25)22-23-9-5-3-6-10-23/h3-12,21,25H,2,13-20,22H2,1H3,(H,31,36)