2-(4-ethoxyphenyl)-3,4-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyridazine

Systemtic Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyridazine Openeye Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyridazine CAS Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyridazine IUPAC Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyridazine Traditional Name: 3,4-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)-2-p-phenetyl-pyrazolo[3,4-d]pyridazine Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCCN(CC4)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCCN(CC4)C)C)C

InChI

InChI=1S/C21H28N6O/c1-5-28-18-9-7-17(8-10-18)27-16(3)19-15(2)22-23-21(20(19)24-27)26-12-6-11-25(4)13-14-26/h7-10H,5-6,11-14H2,1-4H3