4-(3-methylbutylamino)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one

Systemtic Name: 4-(3-methylbutylamino)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one Openeye Name: 4-(isopentylamino)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one CAS Name: 4-(3-methylbutylamino)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one IUPAC Name: 4-(3-methylbutylamino)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one Traditional Name: 3-(4-amoxyphenyl)-4-(isoamylamino)-1H-pyridazin-6-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NNC(=O)C=C2NCCC(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NNC(=O)C=C2NCCC(C)C

InChI

InChI=1S/C20H29N3O2/c1-4-5-6-13-25-17-9-7-16(8-10-17)20-18(14-19(24)22-23-20)21-12-11-15(2)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H2,21,22,24)