azepan-2-one; 2,4-diisocyanato-1-methyl-benzene; 2-[2-hydroxyethyl(methyl)amino]ethanol

Systemtic Name: azepan-2-one; 2,4-diisocyanato-1-methyl-benzene; 2-[2-hydroxyethyl(methyl)amino]ethanol Openeye Name: azepan-2-one; 2,4-diisocyanato-1-methyl-benzene; 2-[2-hydroxyethyl(methyl)amino]ethanol CAS Name: 2-azepanone; 2,4-diisocyanato-1-methylbenzene; 2-[2-hydroxyethyl(methyl)amino]ethanol IUPAC Name: azepan-2-one; 2,4-diisocyanato-1-methylbenzene; 2-[2-hydroxyethyl(methyl)amino]ethanol Traditional Name: azepan-2-one; 2,4-diisocyanato-1-methyl-benzene; 2-[2-hydroxyethyl(methyl)amino]ethanol Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=O)N=C=O.CN(CCO)CCO.C1CCC(=O)NCC1

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=O)N=C=O.CN(CCO)CCO.C1CCC(=O)NCC1

InChI

InChI=1S/C9H6N2O2.C6H11NO.C5H13NO2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;8-6-4-2-1-3-5-7-6;1-6(2-4-7)3-5-8/h2-4H,1H3;1-5H2,(H,7,8);7-8H,2-5H2,1H3