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

Systemtic Name: 4-[(4-bromophenyl)methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one Openeye Name: 4-[(4-bromophenyl)methyl-(4-piperidyl)amino]-6-methoxy-chromen-2-one CAS Name: 4-[(4-bromophenyl)methyl-(4-piperidinyl)amino]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-bromophenyl)methyl-piperidin-4-ylamino]-6-methoxychromen-2-one Traditional Name: 4-[(4-bromobenzyl)-(4-piperidyl)amino]-6-methoxy-coumarin Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC=C(C=C3)Br)C4CCNCC4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC=C(C=C3)Br)C4CCNCC4

InChI

InChI=1S/C22H23BrN2O3/c1-27-18-6-7-21-19(12-18)20(13-22(26)28-21)25(17-8-10-24-11-9-17)14-15-2-4-16(23)5-3-15/h2-7,12-13,17,24H,8-11,14H2,1H3