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

Systemtic Name: N-[(3-nitrophenyl)methyl]-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]cycloheptanamine Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]cycloheptanamine CAS Name: N-[(3-nitrophenyl)methyl]-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]cycloheptanamine IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(3-nitrophenyl)methyl]cycloheptanamine Traditional Name: 2-(4-benzylpiperazino)ethyl-cycloheptyl-(3-nitrobenzyl)amine Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CCN2CCN(CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)N(CCN2CCN(CC2)CC3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H38N4O2/c32-31(33)27-14-8-11-25(21-27)23-30(26-12-6-1-2-7-13-26)20-19-28-15-17-29(18-16-28)22-24-9-4-3-5-10-24/h3-5,8-11,14,21,26H,1-2,6-7,12-13,15-20,22-23H2