(phenylmethyl) N-[2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: benzyl N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamic acid benzyl ester Formula: C29H38N6O5 MolecularWeight: 550.64922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H38N6O5/c36-27(33-13-9-30-10-14-33)24-7-8-26(25(21-24)31-28(37)40-22-23-5-2-1-3-6-23)32-11-4-12-34(16-15-32)29(38)35-17-19-39-20-18-35/h1-3,5-8,21,30H,4,9-20,22H2,(H,31,37)