methyl 4-[2-[(3-fluorophenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[2-[(3-fluorophenyl)carbonylamino]-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-[(3-fluorobenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-[[(3-fluorophenyl)-oxomethyl]amino]-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(3-fluorobenzoyl)amino]-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-[(3-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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN5O4/c1-35-25(34)31-11-3-10-29(14-15-31)22-7-6-19(24(33)30-12-8-27-9-13-30)17-21(22)28-23(32)18-4-2-5-20(26)16-18/h2,4-7,16-17,27H,3,8-15H2,1H3,(H,28,32)