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

Systemtic Name: 2,6-dimethyl-3-nitro-N-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyridin-4-amine Openeye Name: N-[2-[4-[(E)-cinnamyl]piperazin-1-yl]ethyl]-2,6-dimethyl-3-nitro-pyridin-4-amine CAS Name: 2,6-dimethyl-3-nitro-N-[2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]-4-pyridinamine IUPAC Name: 2,6-dimethyl-3-nitro-N-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]pyridin-4-amine Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]ethyl-(2,6-dimethyl-3-nitro-4-pyridyl)amine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-18-17-21(22(27(28)29)19(2)24-18)23-10-12-26-15-13-25(14-16-26)11-6-9-20-7-4-3-5-8-20/h3-9,17H,10-16H2,1-2H3,(H,23,24)/b9-6+