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

Systemtic Name: N-(2-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzamide Formula: C31H45N5O2 MolecularWeight: 519.7213

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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)CN4CCCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCCCC3N)CN4CCCN(CC4)C

InChI

InChI=1S/C31H45N5O2/c1-31(2,3)25-14-12-22(13-15-25)29(37)34-28-20-23(30(38)33-27-9-6-5-8-26(27)32)10-11-24(28)21-36-17-7-16-35(4)18-19-36/h10-15,20,26-27H,5-9,16-19,21,32H2,1-4H3,(H,33,38)(H,34,37)