methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-[(3-methoxyphenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-[(3-methoxyphenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-(m-anisoylamino)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)OC

InChI

InChI=1S/C26H33N5O5/c1-35-21-6-3-5-19(17-21)24(32)28-22-18-20(25(33)30-11-4-9-27-10-12-30)7-8-23(22)29-13-15-31(16-14-29)26(34)36-2/h3,5-8,17-18,27H,4,9-16H2,1-2H3,(H,28,32)