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

Systemtic Name: 3-(cyclohexylamino)-4-[[4-(2,3-dihydroindol-1-ylcarbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclohexylamino)-4-[[4-(indoline-1-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclohexylamino)-4-[[4-[2,3-dihydroindol-1-yl(oxo)methyl]phenyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclohexylamino)-4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclohexylamino)-4-[[4-(indoline-1-carbonyl)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C26H27N3O3 MolecularWeight: 429.51088

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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=C54

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O3/c30-24-22(23(25(24)31)28-20-7-2-1-3-8-20)27-16-17-10-12-19(13-11-17)26(32)29-15-14-18-6-4-5-9-21(18)29/h4-6,9-13,20,27-28H,1-3,7-8,14-16H2