N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C23H27N3O4/c1-14(2)13-26-23(28)18-9-7-6-8-17(18)21(25-26)22(27)24-15(3)19-12-16(29-4)10-11-20(19)30-5/h6-12,14-15H,13H2,1-5H3,(H,24,27)/t15-/m1/s1