N-cyclohexyl-5-(cyclopropylcarbonylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-cyclohexyl-5-(cyclopropylcarbonylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(cyclopropanecarbonylamino)benzamide CAS Name: N-cyclohexyl-5-[[cyclopropyl(oxo)methyl]amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-(cyclopropanecarbonylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-N-cyclohexyl-5-(cyclopropanecarbonylamino)benzamide Formula: C28H36N4O2 MolecularWeight: 460.61104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H36N4O2/c33-27(22-11-12-22)30-24-13-14-26(25(19-24)28(34)29-23-9-5-2-6-10-23)32-17-15-31(16-18-32)20-21-7-3-1-4-8-21/h1,3-4,7-8,13-14,19,22-23H,2,5-6,9-12,15-18,20H2,(H,29,34)(H,30,33)