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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H20N4O2S/c1-2-11-25-21(27)15-9-4-3-8-14(15)18(24-25)19(26)23-20-16(12-22)13-7-5-6-10-17(13)28-20/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,23,26)