N-(3-bromophenyl)-2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-(3-bromophenyl)-2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]propanamide Openeye Name: N-(3-bromophenyl)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]propanamide CAS Name: N-(3-bromophenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(3-bromophenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]propanamide Traditional Name: N-(3-bromophenyl)-2-[4-[2-(dimethylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]propionamide Formula: C18H27BrN4O2 MolecularWeight: 411.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)N2CCCN(CC2)CC(=O)N(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)N2CCCN(CC2)CC(=O)N(C)C

InChI

InChI=1S/C18H27BrN4O2/c1-14(18(25)20-16-7-4-6-15(19)12-16)23-9-5-8-22(10-11-23)13-17(24)21(2)3/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,20,25)