1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C27H29N5O3/c1-19(2)25-20(3)28-26(22-7-5-4-6-8-22)29-27(25)31-17-15-30(16-18-31)24(33)14-11-21-9-12-23(13-10-21)32(34)35/h4-14,19H,15-18H2,1-3H3