[4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-phenethylpiperazin-1-yl)methanone

Systemtic Name: [4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-phenethylpiperazin-1-yl)methanone Openeye Name: [4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-phenethylpiperazin-1-yl)methanone CAS Name: [4-(3,4-dimethylphenoxy)-2-phenyl-5-pyrimidinyl]-(4-phenethyl-1-piperazinyl)methanone IUPAC Name: [4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]-(4-phenethylpiperazin-1-yl)methanone Traditional Name: [4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-phenethylpiperazino)methanone Formula: C31H32N4O2 MolecularWeight: 492.61138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC(=NC=C2C(=O)N3CCN(CC3)CCC4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC(=NC=C2C(=O)N3CCN(CC3)CCC4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H32N4O2/c1-23-13-14-27(21-24(23)2)37-30-28(22-32-29(33-30)26-11-7-4-8-12-26)31(36)35-19-17-34(18-20-35)16-15-25-9-5-3-6-10-25/h3-14,21-22H,15-20H2,1-2H3