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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Formula: C29H36FN5O3 MolecularWeight: 521.626243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H36FN5O3/c30-22-7-4-19(5-8-22)27(36)33-25-18-21(28(37)32-24-11-9-23(31)10-12-24)6-13-26(25)34-14-1-15-35(17-16-34)29(38)20-2-3-20/h4-8,13,18,20,23-24H,1-3,9-12,14-17,31H2,(H,32,37)(H,33,36)