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

Systemtic Name: methyl 4-[4-piperazin-1-ylcarbonyl-2-(pyridin-3-ylcarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-(piperazine-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[oxo(1-piperazinyl)methyl]-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(piperazine-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-nicotinamido-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4/c1-34-24(33)30-11-3-10-28(14-15-30)21-6-5-18(23(32)29-12-8-25-9-13-29)16-20(21)27-22(31)19-4-2-7-26-17-19/h2,4-7,16-17,25H,3,8-15H2,1H3,(H,27,31)