methyl 1,2,5-trimethyl-4-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate

Systemtic Name: methyl 1,2,5-trimethyl-4-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate Openeye Name: methyl 4-[[4-(2-anilino-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[[4-(2-anilino-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]-1,2,5-trimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1C)C)C(=O)OC)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O3/c1-17-20(22(23(29)30-4)18(2)25(17)3)15-26-11-8-12-27(14-13-26)16-21(28)24-19-9-6-5-7-10-19/h5-7,9-10H,8,11-16H2,1-4H3,(H,24,28)