2,6-bis[[bis(phenylmethyl)amino]methyl]cyclohexan-1-one hydrochloride

Systemtic Name: 2,6-bis[[bis(phenylmethyl)amino]methyl]cyclohexan-1-one hydrochloride Openeye Name: 2,6-bis[(dibenzylamino)methyl]cyclohexanone hydrochloride CAS Name: 2,6-bis[[bis(phenylmethyl)amino]methyl]-1-cyclohexanone hydrochloride IUPAC Name: 2,6-bis[(dibenzylamino)methyl]cyclohexan-1-one hydrochloride Traditional Name: 2,6-bis[(dibenzylamino)methyl]cyclohexanone hydrochloride Formula: C36H41ClN2O MolecularWeight: 553.17654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5.Cl

Isomeric SMILES

C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C36H40N2O.ClH/c39-36-34(28-37(24-30-14-5-1-6-15-30)25-31-16-7-2-8-17-31)22-13-23-35(36)29-38(26-32-18-9-3-10-19-32)27-33-20-11-4-12-21-33;/h1-12,14-21,34-35H,13,22-29H2;1H