N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(2-benzofuranyl)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C23H23N3O3/c1-14(2)13-26-23(28)18-10-6-5-9-17(18)21(25-26)22(27)24-15(3)20-12-16-8-4-7-11-19(16)29-20/h4-12,14-15H,13H2,1-3H3,(H,24,27)/t15-/m1/s1