N-(5-tert-butyl-2-methoxy-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-tert-butyl-2-methoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-tert-butyl-2-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(5-tert-butyl-2-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-27(2,3)19-14-15-23(33-4)22(16-19)28-25(31)24-20-12-8-9-13-21(20)26(32)30(29-24)17-18-10-6-5-7-11-18/h5-16H,17H2,1-4H3,(H,28,31)