N-methyl-4-oxidanylidene-3-(phenylmethyl)-N-(1-thiophen-2-ylethyl)phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-(phenylmethyl)-N-(1-thiophen-2-ylethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-methyl-4-oxo-N-[1-(2-thienyl)ethyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-(phenylmethyl)-N-(1-thiophen-2-ylethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-methyl-4-oxo-N-(1-thiophen-2-ylethyl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-methyl-N-[1-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CS1)N(C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-16(20-13-8-14-29-20)25(2)23(28)21-18-11-6-7-12-19(18)22(27)26(24-21)15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3