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

Systemtic Name: methyl 3-[[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-33-26(32)21-8-9-23-22(17-28-24(23)16-21)18-29-12-5-13-30(15-14-29)19-25(31)27-11-10-20-6-3-2-4-7-20/h2-4,6-9,16-17,28H,5,10-15,18-19H2,1H3,(H,27,31)