N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-fluorophenyl)carbonylamino]-3-methyl-benzamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-fluorophenyl)carbonylamino]-3-methyl-benzamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-fluorobenzoyl)amino]-3-methyl-benzamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[(3-fluorophenyl)-oxomethyl]amino]-3-methylbenzamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-fluorobenzoyl)amino]-3-methylbenzamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(3-fluorobenzoyl)amino]-3-methyl-benzamide Formula: C23H28FN3O2 MolecularWeight: 397.485723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H28FN3O2/c1-15-10-19(22(28)26-14-17-5-2-4-16(11-17)13-25)8-9-21(15)27-23(29)18-6-3-7-20(24)12-18/h3,6-10,12,16-17H,2,4-5,11,13-14,25H2,1H3,(H,26,28)(H,27,29)