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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-[(3-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(3-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(3-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(3-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(3-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(=CC=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(=CC=C5)F

InChI

InChI=1S/C29H36FN5O3/c30-22-4-1-3-20(17-22)28(37)33-25-18-21(27(36)32-24-10-8-23(31)9-11-24)7-12-26(25)34-13-2-14-35(16-15-34)29(38)19-5-6-19/h1,3-4,7,12,17-19,23-24H,2,5-6,8-11,13-16,31H2,(H,32,36)(H,33,37)