4-[(3-ethynylphenyl)amino]-3-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide

Systemtic Name: 4-[(3-ethynylphenyl)amino]-3-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide Openeye Name: 4-(3-ethynylanilino)-3-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide CAS Name: 4-(3-ethynylanilino)-3-methyl-N-[2-(1-pyrrolidinyl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide IUPAC Name: 4-(3-ethynylanilino)-3-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide Traditional Name: 4-(3-ethynylanilino)-3-methyl-N-(2-pyrrolidinoethyl)-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CN=NC(=C12)NC3=CC=CC(=C3)C#C)C(=O)NCCN4CCCC4

Isomeric SMILES

CC1=C(NC2=CN=NC(=C12)NC3=CC=CC(=C3)C#C)C(=O)NCCN4CCCC4

InChI

InChI=1S/C22H24N6O/c1-3-16-7-6-8-17(13-16)25-21-19-15(2)20(26-18(19)14-24-27-21)22(29)23-9-12-28-10-4-5-11-28/h1,6-8,13-14,26H,4-5,9-12H2,2H3,(H,23,29)(H,25,27)