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

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methylamino]-4-piperidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methylamino]-4-(1-piperidyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]cyclohexyl]methylamino]-4-(1-piperidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methylamino]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methylamino]-4-piperidino-cyclobut-3-ene-1,2-quinone Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H33N3O3/c30-24-22(23(25(24)31)28-13-4-1-5-14-28)27-16-18-8-10-20(11-9-18)26(32)29-15-12-19-6-2-3-7-21(19)17-29/h2-3,6-7,18,20,27H,1,4-5,8-17H2