2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-[4-(m-tolyl)piperazin-1-yl]ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-[4-(m-tolyl)piperazino]ethylamino]-5-nitro-benzonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H23N5O2/c1-16-3-2-4-18(13-16)24-11-9-23(10-12-24)8-7-22-20-6-5-19(25(26)27)14-17(20)15-21/h2-6,13-14,22H,7-12H2,1H3