N-[3-[(E)-3-(1,4-diazepan-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[(E)-3-(1,4-diazepan-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]-2-methoxy-benzamide Openeye Name: N-[3-[(E)-3-(1,4-diazepan-1-yl)-3-oxo-prop-1-enyl]phenyl]-2-methoxy-benzamide CAS Name: N-[3-[(E)-3-(1,4-diazepan-1-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxybenzamide IUPAC Name: N-[3-[(E)-3-(1,4-diazepan-1-yl)-3-oxoprop-1-enyl]phenyl]-2-methoxybenzamide Traditional Name: N-[3-[(E)-3-(1,4-diazepan-1-yl)-3-keto-prop-1-enyl]phenyl]-2-methoxy-benzamide Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C=CC(=O)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)/C=C/C(=O)N3CCCNCC3

InChI

InChI=1S/C22H25N3O3/c1-28-20-9-3-2-8-19(20)22(27)24-18-7-4-6-17(16-18)10-11-21(26)25-14-5-12-23-13-15-25/h2-4,6-11,16,23H,5,12-15H2,1H3,(H,24,27)/b11-10+