N-(3-azanylpropyl)-N-[[3-[3-(cyclohexylcarbonylamino)-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[3-(cyclohexylcarbonylamino)-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-aminopropyl)-N-[[3-[3-(cyclohexanecarbonylamino)-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-aminopropyl)-N-[[3-[3-[[cyclohexyl(oxo)methyl]amino]-4-(4-methyl-1-piperazinyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[3-(cyclohexanecarbonylamino)-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-aminopropyl)-N-[3-[3-(cyclohexanecarbonylamino)-4-(4-methylpiperazino)phenyl]benzyl]-piperonylamide Formula: C36H45N5O4 MolecularWeight: 611.7736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CC5=C(C=C4)OCO5)NC(=O)C6CCCCC6

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CC5=C(C=C4)OCO5)NC(=O)C6CCCCC6

InChI

InChI=1S/C36H45N5O4/c1-39-17-19-40(20-18-39)32-13-11-29(22-31(32)38-35(42)27-8-3-2-4-9-27)28-10-5-7-26(21-28)24-41(16-6-15-37)36(43)30-12-14-33-34(23-30)45-25-44-33/h5,7,10-14,21-23,27H,2-4,6,8-9,15-20,24-25,37H2,1H3,(H,38,42)