8-[[5-chloranyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 8-[[5-chloranyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 8-[[5-chloro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]anilino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 8-[[5-chloro-2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 8-[[5-chloro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 8-[[5-chloro-2-[2-methoxy-4-[4-(4-methylpiperazino)piperidino]anilino]pyrimidin-4-yl]amino]-2-methyl-3,4-dihydroisocarbostyril Formula: C31H39ClN8O2 MolecularWeight: 591.14676

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC6=C5C(=O)N(CC6)C)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC6=C5C(=O)N(CC6)C)Cl)OC

InChI

InChI=1S/C31H39ClN8O2/c1-37-15-17-40(18-16-37)22-10-13-39(14-11-22)23-7-8-25(27(19-23)42-3)35-31-33-20-24(32)29(36-31)34-26-6-4-5-21-9-12-38(2)30(41)28(21)26/h4-8,19-20,22H,9-18H2,1-3H3,(H2,33,34,35,36)