(6,7-diethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (6,7-diethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (6,7-diethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (6,7-diethoxy-2-methyl-1'-spiro[3,4-dihydroisoquinoline-1,4'-cyclohexane]yl)-[4-[1-[(3-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (6,7-diethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (6,7-diethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,4'-cyclohexane]-1'-yl)-[4-[1-(3-nitrobenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]methanone Formula: C36H44N8O5 MolecularWeight: 668.78516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN(C23CCC(CC3)C(=O)N4CCN(CC4)C5=NC=NC6=C5C=NN6CC7=CC(=CC=C7)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN(C23CCC(CC3)C(=O)N4CCN(CC4)C5=NC=NC6=C5C=NN6CC7=CC(=CC=C7)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C36H44N8O5/c1-4-48-31-20-27-11-14-40(3)36(30(27)21-32(31)49-5-2)12-9-26(10-13-36)35(45)42-17-15-41(16-18-42)33-29-22-39-43(34(29)38-24-37-33)23-25-7-6-8-28(19-25)44(46)47/h6-8,19-22,24,26H,4-5,9-18,23H2,1-3H3