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

Systemtic Name: N-(2-diethylaminoethyl)-4-[(3-ethynylphenyl)amino]-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-4-(3-ethynylanilino)-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-4-(3-ethynylanilino)-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide IUPAC Name: N-(2-diethylaminoethyl)-4-(3-ethynylanilino)-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-4-(3-ethynylanilino)-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C2=C(N=NC=C2N1)NC3=CC=CC(=C3)C#C)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C2=C(N=NC=C2N1)NC3=CC=CC(=C3)C#C)C

InChI

InChI=1S/C22H26N6O/c1-5-16-9-8-10-17(13-16)25-21-19-15(4)20(26-18(19)14-24-27-21)22(29)23-11-12-28(6-2)7-3/h1,8-10,13-14,26H,6-7,11-12H2,2-4H3,(H,23,29)(H,25,27)