(3S)-N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCCCC3=C(C(=NN3)N)C#N)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](OC(=O)C2=C1C=C(C=C2)C(=O)NCCCC3=C(C(=NN3)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3/c24-13-18-19(27-28-21(18)25)7-4-10-26-22(29)15-8-9-17-16(11-15)12-20(31-23(17)30)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,4,7,10,12H2,(H,26,29)(H3,25,27,28)/t20-/m0/s1