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

Systemtic Name: methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-(4-acetamidobenzyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CNC4=C3C=CC(=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CNC4=C3C=CC(=C4)C(=O)OC

InChI

InChI=1S/C25H30N4O3/c1-18(30)27-22-7-4-19(5-8-22)16-28-10-3-11-29(13-12-28)17-21-15-26-24-14-20(25(31)32-2)6-9-23(21)24/h4-9,14-15,26H,3,10-13,16-17H2,1-2H3,(H,27,30)