3-(cyclohexylamino)-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclohexylamino)-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclohexylamino)-4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclohexylamino)-4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclohexylamino)-4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclohexylamino)-4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O3/c31-25-23(24(26(25)32)29-22-8-2-1-3-9-22)28-16-18-10-12-20(13-11-18)27(33)30-15-14-19-6-4-5-7-21(19)17-30/h4-7,10-13,22,28-29H,1-3,8-9,14-17H2