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

Systemtic Name: 4-chloranyl-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)-4-chloro-3aH-indazole-3-carboxamide CAS Name: 4-chloro-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)-4-chloro-3aH-indazole-3-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-4-chloro-3aH-indazole-3-carboxamide Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O/c1-26-10-11-27(12-15-6-3-2-4-7-15)14-16(13-26)23-21(28)20-19-17(22)8-5-9-18(19)24-25-20/h2-9,16,19H,10-14H2,1H3,(H,23,28)