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

Systemtic Name: (phenylmethyl) N-[2-[4-(2-phenylethanoyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: benzyl N-[2-[4-(2-phenylacetyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(2-phenylacetyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(2-phenylacetyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]carbamic acid benzyl ester Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H35N5O4/c37-29(21-24-7-3-1-4-8-24)35-19-17-34(18-20-35)28-12-11-26(30(38)36-15-13-32-14-16-36)22-27(28)33-31(39)40-23-25-9-5-2-6-10-25/h1-12,22,32H,13-21,23H2,(H,33,39)