3-cyclopentyl-N-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]propanamide

Systemtic Name: 3-cyclopentyl-N-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]propanamide Openeye Name: 3-cyclopentyl-N-[4-oxo-1-(3-thienylmethyl)-3H-phthalazin-6-yl]propanamide CAS Name: 3-cyclopentyl-N-[4-oxo-1-(3-thiophenylmethyl)-3H-phthalazin-6-yl]propanamide IUPAC Name: 3-cyclopentyl-N-[4-oxo-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]propanamide Traditional Name: 3-cyclopentyl-N-[4-keto-1-(3-thenyl)-3H-phthalazin-6-yl]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4

InChI

InChI=1S/C21H23N3O2S/c25-20(8-5-14-3-1-2-4-14)22-16-6-7-17-18(12-16)21(26)24-23-19(17)11-15-9-10-27-13-15/h6-7,9-10,12-14H,1-5,8,11H2,(H,22,25)(H,24,26)