4-[1-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-N-methyl-benzamide

Systemtic Name: 4-[1-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-N-methyl-benzamide Openeye Name: 4-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidyl]-N-methyl-benzamide CAS Name: 4-[1-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidinyl]-N-methylbenzamide IUPAC Name: 4-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-N-methylbenzamide Traditional Name: 4-[1-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidyl]-N-methyl-benzamide Formula: C31H40N8O MolecularWeight: 540.7023

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C2CCN(CC2)C3=CC4=C(CCN(C4)C5=CC(=NC(=N5)N)N6CCN(CC6)C)C=C3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C2CCN(CC2)C3=CC4=C(CCN(C4)C5=CC(=NC(=N5)N)N6CCN(CC6)C)C=C3

InChI

InChI=1S/C31H40N8O/c1-33-30(40)25-5-3-22(4-6-25)24-9-12-37(13-10-24)27-8-7-23-11-14-39(21-26(23)19-27)29-20-28(34-31(32)35-29)38-17-15-36(2)16-18-38/h3-8,19-20,24H,9-18,21H2,1-2H3,(H,33,40)(H2,32,34,35)