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

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(methoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(methoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-(methoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(methoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(carbomethoxyamino)-4-(1,4-diazepane-1-carbonyl)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)OC

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)OC

InChI

InChI=1S/C21H31N5O5/c1-30-20(28)23-17-15-16(19(27)25-9-3-7-22-8-12-25)5-6-18(17)24-10-4-11-26(14-13-24)21(29)31-2/h5-6,15,22H,3-4,7-14H2,1-2H3,(H,23,28)