N-(2-azanylcyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-[[methyl(phenethyl)amino]methyl]-3-[(2-phenylacetyl)amino]benzamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)NC3CCCCC3N)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)NC3CCCCC3N)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O2/c1-35(19-18-23-10-4-2-5-11-23)22-26-17-16-25(31(37)34-28-15-9-8-14-27(28)32)21-29(26)33-30(36)20-24-12-6-3-7-13-24/h2-7,10-13,16-17,21,27-28H,8-9,14-15,18-20,22,32H2,1H3,(H,33,36)(H,34,37)