N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-2-3-11-25-21(28)13-8-5-4-7-12(13)17(24-25)19(27)23-20-16(18(22)26)14-9-6-10-15(14)29-20/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,22,26)(H,23,27)