2-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)naphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,4-naphthoquinone Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C25H26N2O4S/c28-23-19-12-4-5-13-20(19)24(29)25(22(23)26-15-7-1-2-8-16-26)32(30,31)27-17-9-11-18-10-3-6-14-21(18)27/h3-6,10,12-14H,1-2,7-9,11,15-17H2