methyl N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate

Systemtic Name: methyl N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H28N6O4/c1-35-25(34)28-21-16-20(24(33)30-10-8-27-9-11-30)6-7-22(21)29-12-14-31(15-13-29)23(32)19-4-2-18(17-26)3-5-19/h2-7,16,27H,8-15H2,1H3,(H,28,34)