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

Systemtic Name: methyl 3-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[4-(2-anilino-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[4-(2-anilino-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CN3CCCN(CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-31-24(30)18-8-9-21-19(15-25-22(21)14-18)16-27-10-5-11-28(13-12-27)17-23(29)26-20-6-3-2-4-7-20/h2-4,6-9,14-15,25H,5,10-13,16-17H2,1H3,(H,26,29)