N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[(1-oxo-2-phenylethyl)amino]-4-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]benzamide Formula: C34H41N5O3 MolecularWeight: 567.72104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H41N5O3/c35-28-13-15-29(16-14-28)36-34(42)27-12-17-31(30(24-27)37-32(40)22-25-8-3-1-4-9-25)38-18-7-19-39(21-20-38)33(41)23-26-10-5-2-6-11-26/h1-6,8-12,17,24,28-29H,7,13-16,18-23,35H2,(H,36,42)(H,37,40)