2-[5-(aminomethyl)-2-methoxy-phenoxy]-1-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[5-(aminomethyl)-2-methoxy-phenoxy]-1-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[5-(aminomethyl)-2-methoxy-phenoxy]-1-[4-(2-quinolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-[4-(2-quinolinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(aminomethyl)-2-methoxyphenoxy]-1-[4-(quinolin-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[5-(aminomethyl)-2-methoxy-phenoxy]-1-[4-(2-quinolylmethyl)piperazino]ethanone Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)CN)OCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H28N4O3/c1-30-22-9-6-18(15-25)14-23(22)31-17-24(29)28-12-10-27(11-13-28)16-20-8-7-19-4-2-3-5-21(19)26-20/h2-9,14H,10-13,15-17,25H2,1H3