N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-3-(cyclopropylcarbonylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-3-(cyclopropylcarbonylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-(cyclopropanecarbonylamino)benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[cyclopropyl(oxo)methyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-(cyclopropanecarbonylamino)benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-3-(cyclopropanecarbonylamino)benzamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5CC5

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5CC5

InChI

InChI=1S/C27H39N5O3/c28-21-8-10-22(11-9-21)29-26(34)20-7-12-24(23(17-20)30-25(33)18-5-6-18)31-13-2-14-32(16-15-31)27(35)19-3-1-4-19/h7,12,17-19,21-22H,1-6,8-11,13-16,28H2,(H,29,34)(H,30,33)