4-azanyl-1-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridec-4-en-2-one

Systemtic Name: 4-azanyl-1-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridec-4-en-2-one Openeye Name: 4-amino-1-[(E)-cinnamyl]-1,3,5-triazacyclotridec-4-en-2-one CAS Name: 4-amino-1-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridec-4-en-2-one IUPAC Name: 4-amino-1-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridec-4-en-2-one Traditional Name: 4-amino-1-[(E)-cinnamyl]-1,3,5-triazacyclotridec-4-en-2-one Formula: C19H28N4O MolecularWeight: 328.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(C(=O)NC(=NCCC1)N)CC=CC2=CC=CC=C2

Isomeric SMILES

C1CCCCN(C(=O)NC(=NCCC1)N)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H28N4O/c20-18-21-14-8-3-1-2-4-9-15-23(19(24)22-18)16-10-13-17-11-6-5-7-12-17/h5-7,10-13H,1-4,8-9,14-16H2,(H3,20,21,22,24)/b13-10+