N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(propylcarbamoylamino)cyclohexyl]amino]benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(propylcarbamoylamino)cyclohexyl]amino]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(propylcarbamoylamino)cyclohexyl]amino]benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-[[oxo(propylamino)methyl]amino]cyclohexyl]amino]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[[4-(propylcarbamoylamino)cyclohexyl]amino]benzamide Traditional Name: 5-nitro-2-[[4-(propylcarbamoylamino)cyclohexyl]amino]-N-veratryl-benzamide Formula: C26H35N5O6 MolecularWeight: 513.586

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCNC(=O)NC1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N5O6/c1-4-13-27-26(33)30-19-8-6-18(7-9-19)29-22-11-10-20(31(34)35)15-21(22)25(32)28-16-17-5-12-23(36-2)24(14-17)37-3/h5,10-12,14-15,18-19,29H,4,6-9,13,16H2,1-3H3,(H,28,32)(H2,27,30,33)