3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxidanylidene-azepan-3-yl]amino]benzamide

Systemtic Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxidanylidene-azepan-3-yl]amino]benzamide Openeye Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxo-azepan-3-yl]amino]benzamide CAS Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxo-3-azepanyl]amino]benzamide IUPAC Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-oxoazepan-3-yl]amino]benzamide Traditional Name: 3-[[1-[4-[2-(dimethylaminomethyl)phenyl]phenyl]-2-keto-azepan-3-yl]amino]benzamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N3CCCCC(C3=O)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N3CCCCC(C3=O)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C28H32N4O2/c1-31(2)19-22-8-3-4-11-25(22)20-13-15-24(16-14-20)32-17-6-5-12-26(28(32)34)30-23-10-7-9-21(18-23)27(29)33/h3-4,7-11,13-16,18,26,30H,5-6,12,17,19H2,1-2H3,(H2,29,33)