(3R,4R)-3-phenyl-2-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3R,4R)-3-phenyl-2-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: (3R,4R)-2-isopropyl-3-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: (3R,4R)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: (3R,4R)-3-phenyl-2-propan-2-yl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: (3R,4R)-2-isopropyl-3-phenyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-19(2)32-24(20-9-4-3-5-10-20)23(21-11-6-7-12-22(21)25(32)33)26(34)30-15-17-31(18-16-30)27-28-13-8-14-29-27/h3-14,19,23-24H,15-18H2,1-2H3/t23-,24+/m1/s1