N-[1-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-phenyl-ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[1-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-phenyl-ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[1-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]-2-phenyl-ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[1-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]-2-phenylethyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[1-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]-2-phenylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[1-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]-2-phenyl-ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C28H30N4O3 MolecularWeight: 470.5628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

InChI

InChI=1S/C28H30N4O3/c1-18-15-21(9-11-22(18)28(35)32-13-5-6-14-32)27(34)31-24(16-19-7-3-2-4-8-19)23-17-20(26(29)30)10-12-25(23)33/h2-4,7-12,15,17,24H,5-6,13-14,16,29-30H2,1H3,(H,31,34)