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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-tert-butylphenyl)carbonylamino]-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide Formula: C33H45N5O3 MolecularWeight: 559.7421

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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)N4CCCN(CC4)C(=O)C5CC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C33H45N5O3/c1-33(2,3)25-10-7-22(8-11-25)30(39)36-28-21-24(31(40)35-27-14-12-26(34)13-15-27)9-16-29(28)37-17-4-18-38(20-19-37)32(41)23-5-6-23/h7-11,16,21,23,26-27H,4-6,12-15,17-20,34H2,1-3H3,(H,35,40)(H,36,39)