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

Systemtic Name: [4-[ethyl-(3-methylphenyl)amino]-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-(N-ethyl-3-methyl-anilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(N-ethyl-3-methylanilino)-2-phenyl-5-pyrimidinyl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(N-ethyl-3-methylanilino)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(N-ethyl-3-methyl-anilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC(=NC=C2C(=O)N3CCCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC(=NC=C2C(=O)N3CCCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-4-31(22-13-8-10-20(2)18-22)25-23(26(32)30-15-9-14-29(3)16-17-30)19-27-24(28-25)21-11-6-5-7-12-21/h5-8,10-13,18-19H,4,9,14-17H2,1-3H3