4-[2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-[2-(dimethylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]acetyl]amino]benzamide Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C18H27N5O3/c1-21(2)17(25)13-23-9-3-8-22(10-11-23)12-16(24)20-15-6-4-14(5-7-15)18(19)26/h4-7H,3,8-13H2,1-2H3,(H2,19,26)(H,20,24)