2-chloranyl-N-[(1S)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-phenyl-propyl]benzamide

Systemtic Name: 2-chloranyl-N-[(1S)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: 2-chloro-N-[(1S)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenyl-propyl]benzamide CAS Name: 2-chloro-N-[(1S)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: 2-chloro-N-[(1S)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylpropyl]benzamide Traditional Name: 2-chloro-N-[(1S)-3-(3-imidazol-1-ylpropylamino)-3-keto-1-phenyl-propyl]benzamide Formula: C22H23ClN4O2 MolecularWeight: 410.89662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCCN2C=CN=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)NCCCN2C=CN=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN4O2/c23-19-10-5-4-9-18(19)22(29)26-20(17-7-2-1-3-8-17)15-21(28)25-11-6-13-27-14-12-24-16-27/h1-5,7-10,12,14,16,20H,6,11,13,15H2,(H,25,28)(H,26,29)/t20-/m0/s1