2-(2-ethyl-6-methyl-phenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2-ethyl-6-methyl-phenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2-ethyl-6-methyl-phenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: 2-(2-ethyl-6-methylphenyl)-4-[[(1-ethyl-2-pyrrolidinyl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2-ethyl-6-methylphenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2-ethyl-6-methyl-phenyl)-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methylene]isoquinoline-1,3-quinone Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C(=CNCC4CCCN4CC)C2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=O)C3=CC=CC=C3C(=CNCC4CCCN4CC)C2=O)C

InChI

InChI=1S/C26H31N3O2/c1-4-19-11-8-10-18(3)24(19)29-25(30)22-14-7-6-13-21(22)23(26(29)31)17-27-16-20-12-9-15-28(20)5-2/h6-8,10-11,13-14,17,20,27H,4-5,9,12,15-16H2,1-3H3