N-[2-[(2S)-butan-2-yl]phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[2-[(1S)-1-methylpropyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-[(1S)-1-methylpropyl]phenyl]phthalazine-1-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

InChI=1S/C21H23N3O2/c1-4-14(3)15-10-8-9-13-18(15)22-20(25)19-16-11-6-7-12-17(16)21(26)24(5-2)23-19/h6-14H,4-5H2,1-3H3,(H,22,25)/t14-/m0/s1