4-oxidanylidene-N-pentan-3-yl-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-pentan-3-yl-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(1-ethylpropyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-N-pentan-3-yl-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(1-ethylpropyl)-4-keto-phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-3-16(4-2)22-20(25)19-17-12-8-9-13-18(17)21(26)24(23-19)14-15-10-6-5-7-11-15/h5-13,16H,3-4,14H2,1-2H3,(H,22,25)