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

Systemtic Name: 5-bromanyl-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-bromo-3aH-indazole-3-carboxamide CAS Name: 5-bromo-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-bromo-3aH-indazole-3-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-bromo-3aH-indazole-3-carboxamide Formula: C21H24BrN5O MolecularWeight: 442.35216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN5O/c1-26-9-10-27(12-15-5-3-2-4-6-15)14-17(13-26)23-21(28)20-18-11-16(22)7-8-19(18)24-25-20/h2-8,11,17-18H,9-10,12-14H2,1H3,(H,23,28)