7-[azanyl-(2-azanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-(7-oxidanylideneazepan-2-yl)methyl]azepan-2-one

Systemtic Name: 7-[azanyl-(2-azanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-(7-oxidanylideneazepan-2-yl)methyl]azepan-2-one Openeye Name: 7-[amino-(2-amino-5,5-dimethyl-3-oxo-cyclohexen-1-yl)-(7-oxoazepan-2-yl)methyl]azepan-2-one CAS Name: 7-[amino-(2-amino-5,5-dimethyl-3-oxo-1-cyclohexenyl)-(7-oxo-2-azepanyl)methyl]-2-azepanone IUPAC Name: 7-[amino-(2-amino-5,5-dimethyl-3-oxocyclohexen-1-yl)-(7-oxoazepan-2-yl)methyl]azepan-2-one Traditional Name: 7-[amino-(2-amino-3-keto-5,5-dimethyl-cyclohexen-1-yl)-(7-ketoazepan-2-yl)methyl]azepan-2-one Formula: C21H34N4O3 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)N)C(C2CCCCC(=O)N2)(C3CCCCC(=O)N3)N)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)N)C(C2CCCCC(=O)N2)(C3CCCCC(=O)N3)N)C

InChI

InChI=1S/C21H34N4O3/c1-20(2)11-13(19(22)14(26)12-20)21(23,15-7-3-5-9-17(27)24-15)16-8-4-6-10-18(28)25-16/h15-16H,3-12,22-23H2,1-2H3,(H,24,27)(H,25,28)