[4-(azepan-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylmethyl)phenyl]-[4-[(E)-cinnamyl]piperazin-1-yl]methanone CAS Name: [4-(1-azepanylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylmethyl)phenyl]-[4-[(E)-cinnamyl]piperazino]methanone Formula: C27H35N3O MolecularWeight: 417.5863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O/c31-27(26-14-12-25(13-15-26)23-29-16-6-1-2-7-17-29)30-21-19-28(20-22-30)18-8-11-24-9-4-3-5-10-24/h3-5,8-15H,1-2,6-7,16-23H2/b11-8+