N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-3-(2-cyclopropyl-6-oxidanylidene-piperazin-1-yl)-5-methyl-benzamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-3-(2-cyclopropyl-6-oxidanylidene-piperazin-1-yl)-5-methyl-benzamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-3-(2-cyclopropyl-6-oxo-piperazin-1-yl)-5-methyl-benzamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-(2-cyclopropyl-6-oxo-1-piperazinyl)-5-methylbenzamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-(2-cyclopropyl-6-oxopiperazin-1-yl)-5-methylbenzamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-3-(2-cyclopropyl-6-keto-piperazino)-5-methyl-benzamide Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=CC(=C2)Cl)CN)N3C(CNCC3=O)C4CC4

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC2=C(C=CC(=C2)Cl)CN)N3C(CNCC3=O)C4CC4

InChI

InChI=1S/C23H27ClN4O2/c1-14-6-17(23(30)27-11-18-8-19(24)5-4-16(18)10-25)9-20(7-14)28-21(15-2-3-15)12-26-13-22(28)29/h4-9,15,21,26H,2-3,10-13,25H2,1H3,(H,27,30)