1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-[(4-methylphenyl)methyl]quinoxaline-2,3-dione

Systemtic Name: 1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-4-[(4-methylphenyl)methyl]quinoxaline-2,3-dione Openeye Name: 1-[3-(azepan-1-yl)-3-oxo-propyl]-4-(p-tolylmethyl)quinoxaline-2,3-dione CAS Name: 1-[3-(1-azepanyl)-3-oxopropyl]-4-[(4-methylphenyl)methyl]quinoxaline-2,3-dione IUPAC Name: 1-[3-(azepan-1-yl)-3-oxopropyl]-4-[(4-methylphenyl)methyl]quinoxaline-2,3-dione Traditional Name: 1-[3-(azepan-1-yl)-3-keto-propyl]-4-(4-methylbenzyl)quinoxaline-2,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C(=O)C2=O)CCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C(=O)C2=O)CCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3/c1-19-10-12-20(13-11-19)18-28-22-9-5-4-8-21(22)27(24(30)25(28)31)17-14-23(29)26-15-6-2-3-7-16-26/h4-5,8-13H,2-3,6-7,14-18H2,1H3