4-methyl-3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 4-methyl-3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 4-methyl-3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile CAS Name: 4-methyl-3-nitro-5-[[2-(1-pyrrolidinylmethyl)phenyl]methylamino]benzonitrile IUPAC Name: 4-methyl-3-nitro-5-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile Traditional Name: 4-methyl-3-nitro-5-[[2-(pyrrolidinomethyl)benzyl]amino]benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NCC2=CC=CC=C2CN3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C#N)NCC2=CC=CC=C2CN3CCCC3

InChI

InChI=1S/C20H22N4O2/c1-15-19(10-16(12-21)11-20(15)24(25)26)22-13-17-6-2-3-7-18(17)14-23-8-4-5-9-23/h2-3,6-7,10-11,22H,4-5,8-9,13-14H2,1H3