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

Systemtic Name: N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-5-nitro-3aH-indazole-3-carboxamide Openeye Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-nitro-3aH-indazole-3-carboxamide CAS Name: N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-5-nitro-3aH-indazole-3-carboxamide IUPAC Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-nitro-3aH-indazole-3-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-nitro-3aH-indazole-3-carboxamide Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)NC(=O)C2=NN=C3C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)NC(=O)C2=NN=C3C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O3/c1-25-9-10-26(12-15-5-3-2-4-6-15)14-16(13-25)22-21(28)20-18-11-17(27(29)30)7-8-19(18)23-24-20/h2-8,11,16,18H,9-10,12-14H2,1H3,(H,22,28)