N-(1-adamantylmethyl)-5-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chloranyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-5-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chloranyl-benzamide Openeye Name: N-(1-adamantylmethyl)-5-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chloro-benzamide CAS Name: N-(1-adamantylmethyl)-5-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chlorobenzamide IUPAC Name: N-(1-adamantylmethyl)-5-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chlorobenzamide Traditional Name: N-(1-adamantylmethyl)-5-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chloro-benzamide Formula: C26H38ClN3O MolecularWeight: 444.05242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(CCC1CN)NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H38ClN3O/c27-24-6-3-18(15-29-22-4-1-17(14-28)2-5-22)10-23(24)25(31)30-16-26-11-19-7-20(12-26)9-21(8-19)13-26/h3,6,10,17,19-22,29H,1-2,4-5,7-9,11-16,28H2,(H,30,31)