N-[(1S)-1-[4-(3-azanyl-1H-indazol-6-yl)-5-chloranyl-1H-imidazol-2-yl]-2-phenyl-ethyl]-1-oxidanylidene-2H-isoquinoline-6-carboxamide

Systemtic Name: N-[(1S)-1-[4-(3-azanyl-1H-indazol-6-yl)-5-chloranyl-1H-imidazol-2-yl]-2-phenyl-ethyl]-1-oxidanylidene-2H-isoquinoline-6-carboxamide Openeye Name: N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenyl-ethyl]-1-oxo-2H-isoquinoline-6-carboxamide CAS Name: N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-1-oxo-2H-isoquinoline-6-carboxamide IUPAC Name: N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-1-oxo-2H-isoquinoline-6-carboxamide Traditional Name: N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenyl-ethyl]-1-keto-2H-isoquinoline-6-carboxamide Formula: C28H22ClN7O2 MolecularWeight: 523.97298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC(=C(N2)Cl)C3=CC4=C(C=C3)C(=NN4)N)NC(=O)C5=CC6=C(C=C5)C(=O)NC=C6

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC(=C(N2)Cl)C3=CC4=C(C=C3)C(=NN4)N)NC(=O)C5=CC6=C(C=C5)C(=O)NC=C6

InChI

InChI=1S/C28H22ClN7O2/c29-24-23(17-6-9-20-21(14-17)35-36-25(20)30)33-26(34-24)22(12-15-4-2-1-3-5-15)32-27(37)18-7-8-19-16(13-18)10-11-31-28(19)38/h1-11,13-14,22H,12H2,(H,31,38)(H,32,37)(H,33,34)(H3,30,35,36)/t22-/m0/s1