7-[1,6-diisocyanato-1-(7-oxidanylideneazepan-2-yl)hexyl]azepan-2-one

Systemtic Name: 7-[1,6-diisocyanato-1-(7-oxidanylideneazepan-2-yl)hexyl]azepan-2-one Openeye Name: 7-[1,6-diisocyanato-1-(7-oxoazepan-2-yl)hexyl]azepan-2-one CAS Name: 7-[1,6-diisocyanato-1-(7-oxo-2-azepanyl)hexyl]-2-azepanone IUPAC Name: 7-[1,6-diisocyanato-1-(7-oxoazepan-2-yl)hexyl]azepan-2-one Traditional Name: 7-[1,6-diisocyanato-1-(7-ketoazepan-2-yl)hexyl]azepan-2-one Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(CCCCCN=C=O)(C2CCCCC(=O)N2)N=C=O

Isomeric SMILES

C1CCC(=O)NC(C1)C(CCCCCN=C=O)(C2CCCCC(=O)N2)N=C=O

InChI

InChI=1S/C20H30N4O4/c25-14-21-13-7-1-6-12-20(22-15-26,16-8-2-4-10-18(27)23-16)17-9-3-5-11-19(28)24-17/h16-17H,1-13H2,(H,23,27)(H,24,28)