5,6-bis(fluoranyl)-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-3aH-indazole-3-carboxamide

Systemtic Name: 5,6-bis(fluoranyl)-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-3aH-indazole-3-carboxamide Openeye Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5,6-difluoro-3aH-indazole-3-carboxamide CAS Name: 5,6-difluoro-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-3aH-indazole-3-carboxamide IUPAC Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5,6-difluoro-3aH-indazole-3-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5,6-difluoro-3aH-indazole-3-carboxamide Formula: C21H23F2N5O MolecularWeight: 399.437026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)NC(=O)C2=NN=C3C2C=C(C(=C3)F)F)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)NC(=O)C2=NN=C3C2C=C(C(=C3)F)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H23F2N5O/c1-27-7-8-28(11-14-5-3-2-4-6-14)13-15(12-27)24-21(29)20-16-9-17(22)18(23)10-19(16)25-26-20/h2-6,9-10,15-16H,7-8,11-13H2,1H3,(H,24,29)