2-[[4-[2-(benzotriazol-2-yl)ethanoyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-[2-(benzotriazol-2-yl)ethanoyl]-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-[2-(benzotriazol-2-yl)acetyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide CAS Name: 2-[[4-[2-(2-benzotriazolyl)-1-oxoethyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide IUPAC Name: 2-[[4-[2-(benzotriazol-2-yl)acetyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide Traditional Name: 2-[[4-[2-(benzotriazol-2-yl)acetyl]-2-keto-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide Formula: C27H34N6O4 MolecularWeight: 506.59666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)CN3N=C4C=CC=CC4=N3

Isomeric SMILES

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C27H34N6O4/c1-3-30(4-2)27(36)20-37-22-16-31(15-14-21-10-6-5-7-11-21)25(34)18-32(17-22)26(35)19-33-28-23-12-8-9-13-24(23)29-33/h5-13,22H,3-4,14-20H2,1-2H3