N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(2-phenylacetyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(2-phenylacetyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(2-phenylacetyl)piperazino]benzamide Formula: C36H45N5O3 MolecularWeight: 595.7742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C36H45N5O3/c1-36(2,3)28-12-9-26(10-13-28)34(43)39-31-24-27(35(44)38-30-16-14-29(37)15-17-30)11-18-32(31)40-19-21-41(22-20-40)33(42)23-25-7-5-4-6-8-25/h4-13,18,24,29-30H,14-17,19-23,37H2,1-3H3,(H,38,44)(H,39,43)