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

Systemtic Name: methyl 4-[2-(methoxycarbonylamino)-4-piperazin-1-ylcarbonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[2-(methoxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(methoxycarbonylamino)-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(methoxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(carbomethoxyamino)-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C20H29N5O5 MolecularWeight: 419.47476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)OC

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)OC

InChI

InChI=1S/C20H29N5O5/c1-29-19(27)22-16-14-15(18(26)24-10-6-21-7-11-24)4-5-17(16)23-8-3-9-25(13-12-23)20(28)30-2/h4-5,14,21H,3,6-13H2,1-2H3,(H,22,27)