3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidin-5-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidin-5-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidin-5-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)-4-piperidinyl]-5-pyrimidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]pyrimidin-5-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)-4-piperidyl]pyrimidin-5-yl]methanone Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCC(C)CN1CCC(CC1)(C2=CC(=CC=C2)O)C3=NC=C(C=N3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C31H38N4O2/c1-3-7-23(2)21-34-16-13-31(14-17-34,27-10-6-11-28(36)18-27)30-32-19-26(20-33-30)29(37)35-15-12-24-8-4-5-9-25(24)22-35/h4-6,8-11,18-20,23,36H,3,7,12-17,21-22H2,1-2H3