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

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]amino]-4-pyrrolidino-cyclobut-3-ene-1,2-quinone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H25N3O3/c29-23-21(22(24(23)30)27-12-3-4-13-27)26-15-17-7-9-19(10-8-17)25(31)28-14-11-18-5-1-2-6-20(18)16-28/h1-2,5-10,26H,3-4,11-16H2