3-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N

InChI

InChI=1S/C23H24N4O2S/c1-3-4-11-27-23(29)17-8-6-5-7-16(17)20(26-27)21(28)25-22-18(13-24)15-10-9-14(2)12-19(15)30-22/h5-8,14H,3-4,9-12H2,1-2H3,(H,25,28)