ethyl N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[[4-(2-methylbenzyl)piperazino]methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H29N3O4/c1-3-31-25(30)26-21-8-9-22-20(14-24(29)32-23(22)15-21)17-28-12-10-27(11-13-28)16-19-7-5-4-6-18(19)2/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,26,30)