6-methyl-4-[(4-phenoxyphenyl)methyl-piperidin-4-yl-amino]chromen-2-one

Systemtic Name: 6-methyl-4-[(4-phenoxyphenyl)methyl-piperidin-4-yl-amino]chromen-2-one Openeye Name: 6-methyl-4-[(4-phenoxyphenyl)methyl-(4-piperidyl)amino]chromen-2-one CAS Name: 6-methyl-4-[(4-phenoxyphenyl)methyl-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-methyl-4-[(4-phenoxyphenyl)methyl-piperidin-4-ylamino]chromen-2-one Traditional Name: 6-methyl-4-[(4-phenoxybenzyl)-(4-piperidyl)amino]coumarin Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC=C(C=C3)OC4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC=C(C=C3)OC4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C28H28N2O3/c1-20-7-12-27-25(17-20)26(18-28(31)33-27)30(22-13-15-29-16-14-22)19-21-8-10-24(11-9-21)32-23-5-3-2-4-6-23/h2-12,17-18,22,29H,13-16,19H2,1H3