methyl 4-[2-[(3,4-dimethoxyphenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-[(3,4-dimethoxyphenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-[(3,4-dimethoxybenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(3,4-dimethoxybenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(piperazine-1-carbonyl)-2-(veratroylamino)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C27H35N5O6 MolecularWeight: 525.5967

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)OC)OC

InChI

InChI=1S/C27H35N5O6/c1-36-23-8-6-19(18-24(23)37-2)25(33)29-21-17-20(26(34)31-13-9-28-10-14-31)5-7-22(21)30-11-4-12-32(16-15-30)27(35)38-3/h5-8,17-18,28H,4,9-16H2,1-3H3,(H,29,33)