N-[(4-butylphenyl)-thiophen-2-yl-methyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(4-butylphenyl)-thiophen-2-yl-methyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C26H27N3O2S/c1-3-4-8-18-12-14-19(15-13-18)25(23-11-7-16-32-23)27-24(30)17-22-20-9-5-6-10-21(20)26(31)29(2)28-22/h5-7,9-16,25H,3-4,8,17H2,1-2H3,(H,27,30)