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

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-[4-[methyl-(4-methylphenyl)amino]-2-phenyl-pyrimidin-5-yl]methanone Openeye Name: [4-(N,4-dimethylanilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(N,4-dimethylanilino)-2-phenyl-5-pyrimidinyl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(N,4-dimethylanilino)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(N,4-dimethylanilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C2=NC(=NC=C2C(=O)N3CCCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C2=NC(=NC=C2C(=O)N3CCCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c1-19-10-12-21(13-11-19)29(3)24-22(25(31)30-15-7-14-28(2)16-17-30)18-26-23(27-24)20-8-5-4-6-9-20/h4-6,8-13,18H,7,14-17H2,1-3H3