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

Systemtic Name: methyl 3-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-28-22(27)18-3-4-20-19(14-24-21(20)13-18)16-26-10-2-9-25(11-12-26)15-17-5-7-23-8-6-17/h3-8,13-14,24H,2,9-12,15-16H2,1H3