1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-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-phenyl-prop-2-en-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-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-phenyl-2-propen-1-one IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenylprop-2-en-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-phenyl-prop-2-en-1-one Formula: C28H32N4O MolecularWeight: 440.57988

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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=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C=CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C28H32N4O/c1-21(2)26-22(3)29-27(24-13-8-5-9-14-24)30-28(26)32-18-10-17-31(19-20-32)25(33)16-15-23-11-6-4-7-12-23/h4-9,11-16,21H,10,17-20H2,1-3H3