(E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanyl)phenyl]-3-(1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-yl)phenyl]-3-(1,3-benzodioxol-5-yl)acrylamide Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O3/c25-22(12-6-17-5-11-20-21(15-17)27-16-26-20)23-18-7-9-19(10-8-18)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14,16H2,(H,23,25)/b12-6+