3-carbamimidoyl-N-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-N-phenyl-benzamide

Systemtic Name: 3-carbamimidoyl-N-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-N-phenyl-benzamide Openeye Name: 3-carbamimidoyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]-N-phenyl-benzamide CAS Name: 3-carbamimidoyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]-N-phenylbenzamide IUPAC Name: 3-carbamimidoyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]-N-phenylbenzamide Traditional Name: 3-amidino-N-[2-keto-2-(3-phenylpropylamino)ethyl]-N-phenyl-benzamide Formula: C25H26N4O2 MolecularWeight: 414.49954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CN(C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CN(C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H26N4O2/c26-24(27)20-12-7-13-21(17-20)25(31)29(22-14-5-2-6-15-22)18-23(30)28-16-8-11-19-9-3-1-4-10-19/h1-7,9-10,12-15,17H,8,11,16,18H2,(H3,26,27)(H,28,30)