2,6-dimethyl-3-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridin-4-amine

Systemtic Name: 2,6-dimethyl-3-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridin-4-amine Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,6-dimethyl-3-nitro-pyridin-4-amine CAS Name: 2,6-dimethyl-3-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-pyridinamine IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,6-dimethyl-3-nitropyridin-4-amine Traditional Name: 2-(4-benzylpiperazino)ethyl-(2,6-dimethyl-3-nitro-4-pyridyl)amine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=C(C(=C1)NCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O2/c1-16-14-19(20(25(26)27)17(2)22-16)21-8-9-23-10-12-24(13-11-23)15-18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3,(H,21,22)