1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-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)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(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)N3CCCN(CC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C28H31N5O3/c1-20(2)26-21(3)29-27(23-8-5-4-6-9-23)30-28(26)32-17-7-16-31(18-19-32)25(34)15-12-22-10-13-24(14-11-22)33(35)36/h4-6,8-15,20H,7,16-19H2,1-3H3