6-bromanyl-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperidine-1-carbonyl)-6-bromo-chromen-2-one CAS Name: 6-bromo-3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperidine-1-carbonyl)-6-bromochromen-2-one Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)-6-bromo-coumarin Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H20BrNO3/c23-18-6-7-20-17(13-18)14-19(22(26)27-20)21(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2