N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide dihydrochloride

Systemtic Name: N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide dihydrochloride Openeye Name: N-[1-methyl-4-(m-tolylmethyl)-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide dihydrochloride CAS Name: N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide dihydrochloride IUPAC Name: N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide dihydrochloride Traditional Name: N-[1-methyl-4-(3-methylbenzyl)-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide dihydrochloride Formula: C22H29Cl2N5O MolecularWeight: 450.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC(C2)NC(=O)C3=NNC4=CC=CC=C43)C.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC(C2)NC(=O)C3=NNC4=CC=CC=C43)C.Cl.Cl

InChI

InChI=1S/C22H27N5O.2ClH/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21;;/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25);2*1H