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

Systemtic Name: 4-[bis(azanyl)methylidene]-2-[[(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)methylamino]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(diaminomethylene)-2-[[[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]methylamino]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(diaminomethylidene)-2-[[[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylamino]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(diaminomethylidene)-2-[[[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]methylamino]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(diaminomethylene)-2-[[[3-methyl-4-(pyrrolidine-1-carbonyl)benzyl]amino]methyl]cyclohexa-2,5-dien-1-one Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNCC2=CC(=C(N)N)C=CC2=O)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)CNCC2=CC(=C(N)N)C=CC2=O)C(=O)N3CCCC3

InChI

InChI=1S/C21H26N4O2/c1-14-10-15(4-6-18(14)21(27)25-8-2-3-9-25)12-24-13-17-11-16(20(22)23)5-7-19(17)26/h4-7,10-11,24H,2-3,8-9,12-13,22-23H2,1H3