N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(4S)-chroman-4-yl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(4S)-chroman-4-yl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H]3CCOC4=CC=CC=C34

InChI

InChI=1S/C22H23N3O3/c1-14(2)13-25-22(27)16-8-4-3-7-15(16)20(24-25)21(26)23-18-11-12-28-19-10-6-5-9-17(18)19/h3-10,14,18H,11-13H2,1-2H3,(H,23,26)/t18-/m0/s1