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

Systemtic Name: 1-azanyl-N-[(1S)-1-[4-(3-azanyl-1H-indazol-6-yl)-5-chloranyl-1H-imidazol-2-yl]-2-phenyl-ethyl]-3-methyl-isoquinoline-6-carboxamide Openeye Name: 1-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenyl-ethyl]-3-methyl-isoquinoline-6-carboxamide CAS Name: 1-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-methyl-6-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-methylisoquinoline-6-carboxamide Traditional Name: 1-amino-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenyl-ethyl]-3-methyl-isoquinoline-6-carboxamide Formula: C29H25ClN8O MolecularWeight: 537.0148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC(=CC2=C1)C(=O)NC(CC3=CC=CC=C3)C4=NC(=C(N4)Cl)C5=CC6=C(C=C5)C(=NN6)N)N

Isomeric SMILES

CC1=NC(=C2C=CC(=CC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC(=C(N4)Cl)C5=CC6=C(C=C5)C(=NN6)N)N

InChI

InChI=1S/C29H25ClN8O/c1-15-11-19-13-18(8-9-20(19)26(31)33-15)29(39)34-23(12-16-5-3-2-4-6-16)28-35-24(25(30)36-28)17-7-10-21-22(14-17)37-38-27(21)32/h2-11,13-14,23H,12H2,1H3,(H2,31,33)(H,34,39)(H,35,36)(H3,32,37,38)/t23-/m0/s1