4-[bis(azanyl)methylidene]-2-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis(azanyl)methylidene]-2-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynylamino]cyclohexa-2,5-dien-1-one Openeye Name: 4-(diaminomethylene)-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]cyclohexa-2,5-dien-1-one CAS Name: 4-(diaminomethylidene)-2-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynylamino]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(diaminomethylidene)-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]cyclohexa-2,5-dien-1-one Traditional Name: 4-(diaminomethylene)-2-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]cyclohexa-2,5-dien-1-one Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC(=C(N)N)C=CC2=O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC(=C(N)N)C=CC2=O)C(=O)N3CCCC3

InChI

InChI=1S/C22H24N4O2/c1-15-13-16(6-8-18(15)22(28)26-11-2-3-12-26)5-4-10-25-19-14-17(21(23)24)7-9-20(19)27/h6-9,13-14,25H,2-3,10-12,23-24H2,1H3