N-[(3-methylphenyl)methyl]-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]cycloheptanamine

Systemtic Name: N-[(3-methylphenyl)methyl]-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]cycloheptanamine Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-(m-tolylmethyl)cycloheptanamine CAS Name: N-[(3-methylphenyl)methyl]-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]cycloheptanamine IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(3-methylphenyl)methyl]cycloheptanamine Traditional Name: 2-(4-benzylpiperazino)ethyl-cycloheptyl-(3-methylbenzyl)amine Formula: C28H41N3 MolecularWeight: 419.64524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCN2CCN(CC2)CC3=CC=CC=C3)C4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCN2CCN(CC2)CC3=CC=CC=C3)C4CCCCCC4

InChI

InChI=1S/C28H41N3/c1-25-10-9-13-27(22-25)24-31(28-14-7-2-3-8-15-28)21-20-29-16-18-30(19-17-29)23-26-11-5-4-6-12-26/h4-6,9-13,22,28H,2-3,7-8,14-21,23-24H2,1H3