5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-phenyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-phenyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-6-methyl-2-phenyl-1H-pyrimidin-4-one CAS Name: 5-[3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-6-methyl-2-phenyl-1H-pyrimidin-4-one IUPAC Name: 5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-6-methyl-2-phenyl-1H-pyrimidin-4-one Traditional Name: 5-[3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]propyl]-6-methyl-2-phenyl-1H-pyrimidin-4-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=CC=C2)CCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=CC=C2)CCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O3/c1-19-23(27(32)29-26(28-19)21-9-5-3-6-10-21)16-17-25(31)30-18-8-4-7-11-24(30)20-12-14-22(33-2)15-13-20/h3,5-6,9-10,12-15,24H,4,7-8,11,16-18H2,1-2H3,(H,28,29,32)