3-(2-methylpropyl)-4-oxidanylidene-N-[(1R)-1-phenylethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[(1R)-1-phenylethyl]phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-[(1R)-1-phenylethyl]phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[(1R)-1-phenylethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-[(1R)-1-phenylethyl]phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1R)-1-phenylethyl]phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-14(2)13-24-21(26)18-12-8-7-11-17(18)19(23-24)20(25)22-15(3)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)/t15-/m1/s1