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

Systemtic Name: 4-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidin-1-yl-but-1-enyl]-2-methyl-5-nitro-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidin-1-yl-but-1-enyl]-2-methyl-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 4-[(Z)-4-(4-methoxyphenyl)-2-(1-pyrrolidinyl)but-1-enyl]-2-methyl-5-nitro-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidin-1-ylbut-1-enyl]-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine Traditional Name: 4-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidino-but-1-enyl]-2-methyl-5-nitro-6-piperidino-pyrimidine Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O3/c1-19-26-23(24(30(31)32)25(27-19)29-16-4-3-5-17-29)18-21(28-14-6-7-15-28)11-8-20-9-12-22(33-2)13-10-20/h9-10,12-13,18H,3-8,11,14-17H2,1-2H3/b21-18-