methyl 4-[2-[2-(4-methoxyphenyl)ethanoylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-[2-(4-methoxyphenyl)ethanoylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O5/c1-36-22-7-4-20(5-8-22)18-25(33)29-23-19-21(26(34)31-14-10-28-11-15-31)6-9-24(23)30-12-3-13-32(17-16-30)27(35)37-2/h4-9,19,28H,3,10-18H2,1-2H3,(H,29,33)