methyl N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate

Systemtic Name: methyl N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]carbamic acid methyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N5O6/c1-35-26(34)28-20-15-18(24(32)31-11-7-27-8-12-31)3-5-21(20)29-9-2-10-30(14-13-29)25(33)19-4-6-22-23(16-19)37-17-36-22/h3-6,15-16,27H,2,7-14,17H2,1H3,(H,28,34)