methyl 4-[2-benzamido-4-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,4-diazepane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC=CC=C4

InChI

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