N-[(5-chloranylthiophen-2-yl)methyl]-4-oxidanylidene-3-pentyl-N-prop-2-enyl-phthalazine-1-carboxamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-oxidanylidene-3-pentyl-N-prop-2-enyl-phthalazine-1-carboxamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-oxo-3-pentyl-N-prop-2-enyl-1-phthalazinecarboxamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-4-oxo-3-pentyl-N-prop-2-enylphthalazine-1-carboxamide Traditional Name: N-allyl-3-amyl-N-[(5-chloro-2-thienyl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-3-5-8-14-26-21(27)18-10-7-6-9-17(18)20(24-26)22(28)25(13-4-2)15-16-11-12-19(23)29-16/h4,6-7,9-12H,2-3,5,8,13-15H2,1H3