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

Systemtic Name: N-[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]ethyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC2=CC(=C(N)N)C=CC2=O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC2=CC(=C(N)N)C=CC2=O)C(=O)N3CCCC3

InChI

InChI=1S/C22H26N4O3/c1-14-12-17(4-6-18(14)22(29)26-10-2-3-11-26)21(28)25-9-8-15-13-16(20(23)24)5-7-19(15)27/h4-7,12-13H,2-3,8-11,23-24H2,1H3,(H,25,28)