methyl 3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-28-22(27)18-5-6-20-19(14-24-21(20)12-18)16-26-9-3-8-25(10-11-26)15-17-4-2-7-23-13-17/h2,4-7,12-14,24H,3,8-11,15-16H2,1H3