methyl 3-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC4=NC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC4=NC=CS4

InChI

InChI=1S/C20H24N4O2S/c1-26-20(25)15-3-4-17-16(12-22-18(17)11-15)13-23-6-2-7-24(9-8-23)14-19-21-5-10-27-19/h3-5,10-12,22H,2,6-9,13-14H2,1H3