3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methylamino]-4-(4-methylpiperidin-1-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methylamino]-4-(4-methylpiperidin-1-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methylamino]-4-(4-methyl-1-piperidyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]cyclohexyl]methylamino]-4-(4-methyl-1-piperidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methylamino]-4-(4-methylpiperidin-1-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methylamino]-4-(4-methylpiperidino)cyclobut-3-ene-1,2-quinone Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H35N3O3/c1-18-10-13-29(14-11-18)24-23(25(31)26(24)32)28-16-19-6-8-21(9-7-19)27(33)30-15-12-20-4-2-3-5-22(20)17-30/h2-5,18-19,21,28H,6-17H2,1H3