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

Systemtic Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)CC3=CNC4=C3C=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)CC3=CNC4=C3C=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H26N4O2S/c1-15-23-18(14-28-15)13-25-7-3-6-24(8-9-25)12-17-11-22-20-10-16(21(26)27-2)4-5-19(17)20/h4-5,10-11,14,22H,3,6-9,12-13H2,1-2H3