methyl 4-(2-benzamido-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-(2-benzamido-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-benzamido-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-benzamido-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-benzamido-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-benzamido-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O4/c1-34-25(33)30-13-5-12-28(16-17-30)22-9-8-20(24(32)29-14-10-26-11-15-29)18-21(22)27-23(31)19-6-3-2-4-7-19/h2-4,6-9,18,26H,5,10-17H2,1H3,(H,27,31)