[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone

Systemtic Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-(4-pentylphenyl)methanone IUPAC Name: [4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C34H37N5O3 MolecularWeight: 563.68928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)[N+](=O)[O-])C)C5=CC=CC=C5

InChI

InChI=1S/C34H37N5O3/c1-3-4-6-9-26-12-16-29(17-13-26)34(40)38-22-20-37(21-23-38)33-31(24-27-14-18-30(19-15-27)39(41)42)25(2)35-32(36-33)28-10-7-5-8-11-28/h5,7-8,10-19H,3-4,6,9,20-24H2,1-2H3