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

Systemtic Name: methyl 4-[2-[(4-fluorophenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-[(4-fluorobenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[[(4-fluorophenyl)-oxomethyl]amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-fluorobenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[(4-fluorobenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C25H30FN5O4 MolecularWeight: 483.535203

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN5O4/c1-35-25(34)31-12-2-11-29(15-16-31)22-8-5-19(24(33)30-13-9-27-10-14-30)17-21(22)28-23(32)18-3-6-20(26)7-4-18/h3-8,17,27H,2,9-16H2,1H3,(H,28,32)