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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-nicotinoyl-1,4-diazepan-1-yl)phenyl]-piperonylamide Formula: C32H36N6O5 MolecularWeight: 584.66544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H36N6O5/c33-24-6-8-25(9-7-24)35-30(39)21-4-10-27(26(17-21)36-31(40)22-5-11-28-29(18-22)43-20-42-28)37-13-2-14-38(16-15-37)32(41)23-3-1-12-34-19-23/h1,3-5,10-12,17-19,24-25H,2,6-9,13-16,20,33H2,(H,35,39)(H,36,40)