(4S)-4-methyl-5-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C25H32N4O2+2 MolecularWeight: 420.54718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-20-18-24(30)26-22-11-5-6-12-23(22)29(20)25(31)19-28-16-14-27(15-17-28)13-7-10-21-8-3-2-4-9-21/h2-12,20H,13-19H2,1H3,(H,26,30)/p+2/b10-7+/t20-/m0/s1