2-isocyanato-N-(6-isocyanatohexyl)-N-(6-isocyanatohexylcarbamoyl)azepane-1-carboxamide

Systemtic Name: 2-isocyanato-N-(6-isocyanatohexyl)-N-(6-isocyanatohexylcarbamoyl)azepane-1-carboxamide Openeye Name: 2-isocyanato-N-(6-isocyanatohexyl)-N-(6-isocyanatohexylcarbamoyl)azepane-1-carboxamide CAS Name: 2-isocyanato-N-(6-isocyanatohexyl)-N-[(6-isocyanatohexylamino)-oxomethyl]-1-azepanecarboxamide IUPAC Name: 2-isocyanato-N-(6-isocyanatohexyl)-N-(6-isocyanatohexylcarbamoyl)azepane-1-carboxamide Traditional Name: 2-isocyanato-N-(6-isocyanatohexyl)-N-(6-isocyanatohexylcarbamoyl)azepane-1-carboxamide Formula: C23H36N6O5 MolecularWeight: 476.56914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O)N=C=O

Isomeric SMILES

C1CCC(N(CC1)C(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O)N=C=O

InChI

InChI=1S/C23H36N6O5/c30-18-24-13-7-1-2-9-15-26-22(33)29(17-10-4-3-8-14-25-19-31)23(34)28-16-11-5-6-12-21(28)27-20-32/h21H,1-17H2,(H,26,33)