2-[(3,5-dimethylphenyl)amino]-3-pyrrolidin-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-(3,5-dimethylanilino)-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-(3,5-dimethylanilino)-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-(3,5-dimethylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(3,5-dimethylanilino)-3-pyrrolidino-1,4-naphthoquinone Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4)C

InChI

InChI=1S/C22H22N2O2/c1-14-11-15(2)13-16(12-14)23-19-20(24-9-5-6-10-24)22(26)18-8-4-3-7-17(18)21(19)25/h3-4,7-8,11-13,23H,5-6,9-10H2,1-2H3