3-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[[3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidine-1-carbonyl]coumarin Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4=CC5=CC=CC=C5OC4=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)C4=CC5=CC=CC=C5OC4=O)C

InChI

InChI=1S/C27H25N3O3/c1-17-7-5-9-19(13-17)23-15-28-18(2)29-25(23)21-10-6-12-30(16-21)26(31)22-14-20-8-3-4-11-24(20)33-27(22)32/h3-5,7-9,11,13-15,21H,6,10,12,16H2,1-2H3