2-[[bis(phenylmethyl)amino]methyl]cyclododecan-1-one hydrochloride

Systemtic Name: 2-[[bis(phenylmethyl)amino]methyl]cyclododecan-1-one hydrochloride Openeye Name: 2-[(dibenzylamino)methyl]cyclododecanone hydrochloride CAS Name: 2-[[bis(phenylmethyl)amino]methyl]-1-cyclododecanone hydrochloride IUPAC Name: 2-[(dibenzylamino)methyl]cyclododecan-1-one hydrochloride Traditional Name: 2-[(dibenzylamino)methyl]cyclododecanone hydrochloride Formula: C27H38ClNO MolecularWeight: 428.04972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)C(CCCC1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCCCCC(=O)C(CCCC1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C27H37NO.ClH/c29-27-20-14-6-4-2-1-3-5-13-19-26(27)23-28(21-24-15-9-7-10-16-24)22-25-17-11-8-12-18-25;/h7-12,15-18,26H,1-6,13-14,19-23H2;1H