5-methyl-4-[(4-methyl-3-oxidanyl-phenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Systemtic Name: 5-methyl-4-[(4-methyl-3-oxidanyl-phenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide Openeye Name: 4-(3-hydroxy-4-methyl-anilino)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide CAS Name: 4-(3-hydroxy-4-methylanilino)-5-methyl-N-[3-(1-pyrrolidinyl)propyl]-6-pyrrolo[2,1-f][1,2,4]triazinecarboxamide IUPAC Name: 4-(3-hydroxy-4-methylanilino)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide Traditional Name: 4-(3-hydroxy-4-methyl-anilino)-5-methyl-N-(3-pyrrolidinopropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NN3C2=C(C(=C3)C(=O)NCCCN4CCCC4)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NN3C2=C(C(=C3)C(=O)NCCCN4CCCC4)C)O

InChI

InChI=1S/C22H28N6O2/c1-15-6-7-17(12-19(15)29)26-21-20-16(2)18(13-28(20)25-14-24-21)22(30)23-8-5-11-27-9-3-4-10-27/h6-7,12-14,29H,3-5,8-11H2,1-2H3,(H,23,30)(H,24,25,26)