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

Systemtic Name: 4-[(4-tert-butylphenyl)methyl-piperidin-4-yl-amino]-6-methyl-chromen-2-one Openeye Name: 4-[(4-tert-butylphenyl)methyl-(4-piperidyl)amino]-6-methyl-chromen-2-one CAS Name: 4-[(4-tert-butylphenyl)methyl-(4-piperidinyl)amino]-6-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-tert-butylphenyl)methyl-piperidin-4-ylamino]-6-methylchromen-2-one Traditional Name: 4-[(4-tert-butylbenzyl)-(4-piperidyl)amino]-6-methyl-coumarin Formula: C26H32N2O2 MolecularWeight: 404.54448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC=C(C=C3)C(C)(C)C)C4CCNCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC=C(C=C3)C(C)(C)C)C4CCNCC4

InChI

InChI=1S/C26H32N2O2/c1-18-5-10-24-22(15-18)23(16-25(29)30-24)28(21-11-13-27-14-12-21)17-19-6-8-20(9-7-19)26(2,3)4/h5-10,15-16,21,27H,11-14,17H2,1-4H3