methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(2-phenylethanoylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(2-phenylethanoylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[(1-oxo-2-phenylethyl)amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O4/c1-35-26(34)31-16-14-29(15-17-31)23-9-8-21(25(33)30-12-5-10-27-11-13-30)19-22(23)28-24(32)18-20-6-3-2-4-7-20/h2-4,6-9,19,27H,5,10-18H2,1H3,(H,28,32)