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

Systemtic Name: methyl N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamate Openeye Name: methyl N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamic acid methyl ester Formula: C23H33N5O4 MolecularWeight: 443.53922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H33N5O4/c1-32-23(31)25-19-16-18(22(30)27-10-2-8-24-9-13-27)6-7-20(19)26-11-3-12-28(15-14-26)21(29)17-4-5-17/h6-7,16-17,24H,2-5,8-15H2,1H3,(H,25,31)