N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl]-piperonylamide Formula: C32H41N5O5 MolecularWeight: 575.69844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H41N5O5/c33-24-8-10-25(11-9-24)34-30(38)22-6-12-27(36-14-3-15-37(17-16-36)32(40)21-4-1-2-5-21)26(18-22)35-31(39)23-7-13-28-29(19-23)42-20-41-28/h6-7,12-13,18-19,21,24-25H,1-5,8-11,14-17,20,33H2,(H,34,38)(H,35,39)