4-[bis(azanyl)methylidene]-2-[[(7-methoxy-6-pyrrolidin-1-ylcarbonyl-isoquinolin-1-yl)amino]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis(azanyl)methylidene]-2-[[(7-methoxy-6-pyrrolidin-1-ylcarbonyl-isoquinolin-1-yl)amino]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(diaminomethylene)-2-[[[7-methoxy-6-(pyrrolidine-1-carbonyl)-1-isoquinolyl]amino]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(diaminomethylidene)-2-[[[7-methoxy-6-[oxo(1-pyrrolidinyl)methyl]-1-isoquinolinyl]amino]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(diaminomethylidene)-2-[[[7-methoxy-6-(pyrrolidine-1-carbonyl)isoquinolin-1-yl]amino]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(diaminomethylene)-2-[[[7-methoxy-6-(pyrrolidine-1-carbonyl)-1-isoquinolyl]amino]methyl]cyclohexa-2,5-dien-1-one Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN=C(C2=C1)NCC3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C2C=CN=C(C2=C1)NCC3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

InChI

InChI=1S/C23H25N5O3/c1-31-20-12-17-14(11-18(20)23(30)28-8-2-3-9-28)6-7-26-22(17)27-13-16-10-15(21(24)25)4-5-19(16)29/h4-7,10-12H,2-3,8-9,13,24-25H2,1H3,(H,26,27)