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

Systemtic Name: N-(1-adamantylmethyl)-N-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chloranyl-benzamide Openeye Name: N-(1-adamantylmethyl)-N-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chloro-benzamide CAS Name: N-(1-adamantylmethyl)-N-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chlorobenzamide IUPAC Name: N-(1-adamantylmethyl)-N-[[[4-(aminomethyl)cyclohexyl]amino]methyl]-2-chlorobenzamide Traditional Name: N-(1-adamantylmethyl)-N-[[[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)NCN(CC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC(CCC1CN)NCN(CC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H38ClN3O/c27-24-4-2-1-3-23(24)25(31)30(17-29-22-7-5-18(15-28)6-8-22)16-26-12-19-9-20(13-26)11-21(10-19)14-26/h1-4,18-22,29H,5-17,28H2