4-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

Systemtic Name: 4-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione Openeye Name: 4-[3-(azepan-1-yl)-3-oxo-propyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione CAS Name: 4-[3-(1-azepanyl)-3-oxopropyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione IUPAC Name: 4-[3-(azepan-1-yl)-3-oxopropyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione Traditional Name: 4-[3-(azepan-1-yl)-3-keto-propyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-quinone Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CCC(=O)N4CCCCCC4

Isomeric SMILES

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H27N3O3/c1-21-12-10-19(26)24(21)17-9-5-4-8-16(17)20(27)23(21)15-11-18(25)22-13-6-2-3-7-14-22/h4-5,8-9H,2-3,6-7,10-15H2,1H3