1-(2-azanylethanoyl)-N-[4-[bis(azanyl)methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-cyclohexyl-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanylethanoyl)-N-[4-[bis(azanyl)methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-cyclohexyl-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-(2-aminoacetyl)-4-cyclohexyl-N-[4-(diaminomethylene)-3-oxo-cyclohexa-1,5-dien-1-yl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxoethyl)-4-cyclohexyl-N-[4-(diaminomethylidene)-3-oxo-1-cyclohexa-1,5-dienyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-aminoacetyl)-4-cyclohexyl-N-[4-(diaminomethylidene)-3-oxocyclohexa-1,5-dien-1-yl]-N-methylpyrrolidine-2-carboxamide Traditional Name: 4-cyclohexyl-N-[4-(diaminomethylene)-3-keto-cyclohexa-1,5-dien-1-yl]-1-glycyl-N-methyl-pyrrolidine-2-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=O)C(=C(N)N)C=C1)C(=O)C2CC(CN2C(=O)CN)C3CCCCC3

Isomeric SMILES

CN(C1=CC(=O)C(=C(N)N)C=C1)C(=O)C2CC(CN2C(=O)CN)C3CCCCC3

InChI

InChI=1S/C21H31N5O3/c1-25(15-7-8-16(20(23)24)18(27)10-15)21(29)17-9-14(12-26(17)19(28)11-22)13-5-3-2-4-6-13/h7-8,10,13-14,17H,2-6,9,11-12,22-24H2,1H3