N-(2-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[[4-(2-pyrimidyl)piperazino]methyl]benzamide Formula: C33H43N7O2 MolecularWeight: 569.74022

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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)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C33H43N7O2/c1-33(2,3)26-13-11-23(12-14-26)30(41)38-29-21-24(31(42)37-28-8-5-4-7-27(28)34)9-10-25(29)22-39-17-19-40(20-18-39)32-35-15-6-16-36-32/h6,9-16,21,27-28H,4-5,7-8,17-20,22,34H2,1-3H3,(H,37,42)(H,38,41)