N,N-diethyl-2-[4-[(3-hydroxyphenyl)methyl]-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxamide

Systemtic Name: N,N-diethyl-2-[4-[(3-hydroxyphenyl)methyl]-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxamide Openeye Name: N,N-diethyl-2-[4-[(3-hydroxyphenyl)methyl]-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxamide CAS Name: N,N-diethyl-2-[4-[(3-hydroxyphenyl)methyl]-1-(2-methylpentyl)-4-piperidinyl]-5-pyrimidinecarboxamide IUPAC Name: N,N-diethyl-2-[4-[(3-hydroxyphenyl)methyl]-1-(2-methylpentyl)piperidin-4-yl]pyrimidine-5-carboxamide Traditional Name: N,N-diethyl-2-[4-(3-hydroxybenzyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidine-5-carboxamide Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CCC(CC1)(CC2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)N(CC)CC

Isomeric SMILES

CCCC(C)CN1CCC(CC1)(CC2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)N(CC)CC

InChI

InChI=1S/C27H40N4O2/c1-5-9-21(4)20-30-14-12-27(13-15-30,17-22-10-8-11-24(32)16-22)26-28-18-23(19-29-26)25(33)31(6-2)7-3/h8,10-11,16,18-19,21,32H,5-7,9,12-15,17,20H2,1-4H3