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

Systemtic Name: N-[[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]-3-chloranyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: 3-chloro-N-[[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: 3-chloro-N-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: 3-chloro-N-[[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: 3-chloro-N-[[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]-4-(pyrrolidine-1-carbonyl)benzamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(N)N)C=CC3=O)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=C(N)N)C=CC3=O)Cl

InChI

InChI=1S/C20H21ClN4O3/c21-16-10-13(3-5-15(16)20(28)25-7-1-2-8-25)19(27)24-11-14-9-12(18(22)23)4-6-17(14)26/h3-6,9-10H,1-2,7-8,11,22-23H2,(H,24,27)