2-methyl-5-nitro-4-[(Z)-4-phenyl-2-pyrrolidin-1-yl-but-1-enyl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 2-methyl-5-nitro-4-[(Z)-4-phenyl-2-pyrrolidin-1-yl-but-1-enyl]-6-piperidin-1-yl-pyrimidine Openeye Name: 2-methyl-5-nitro-4-[(Z)-4-phenyl-2-pyrrolidin-1-yl-but-1-enyl]-6-(1-piperidyl)pyrimidine CAS Name: 2-methyl-5-nitro-4-[(Z)-4-phenyl-2-(1-pyrrolidinyl)but-1-enyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-methyl-5-nitro-4-[(Z)-4-phenyl-2-pyrrolidin-1-ylbut-1-enyl]-6-piperidin-1-ylpyrimidine Traditional Name: 2-methyl-5-nitro-4-[(Z)-4-phenyl-2-pyrrolidino-but-1-enyl]-6-piperidino-pyrimidine Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])C=C(CCC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCCCC2)[N+](=O)[O-])/C=C(/CCC3=CC=CC=C3)\N4CCCC4

InChI

InChI=1S/C24H31N5O2/c1-19-25-22(23(29(30)31)24(26-19)28-16-6-3-7-17-28)18-21(27-14-8-9-15-27)13-12-20-10-4-2-5-11-20/h2,4-5,10-11,18H,3,6-9,12-17H2,1H3/b21-18-