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

Systemtic Name: [4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(3,4-dimethylphenoxy)-2-phenyl-5-pyrimidinyl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(3,4-dimethylphenoxy)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC(=NC=C2C(=O)N3CCCN(CC3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC(=NC=C2C(=O)N3CCCN(CC3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2/c1-18-10-11-21(16-19(18)2)31-24-22(25(30)29-13-7-12-28(3)14-15-29)17-26-23(27-24)20-8-5-4-6-9-20/h4-6,8-11,16-17H,7,12-15H2,1-3H3