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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H24N4O2S/c1-14(2)11-12-27-23(29)17-9-4-3-8-16(17)20(26-27)21(28)25-22-18(13-24)15-7-5-6-10-19(15)30-22/h3-4,8-9,14H,5-7,10-12H2,1-2H3,(H,25,28)