3-[4-(ethylaminomethyl)-2-methoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[4-(ethylaminomethyl)-2-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[4-(ethylaminomethyl)-2-methoxy-phenoxy]azepan-2-one CAS Name: 3-[4-(ethylaminomethyl)-2-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[4-(ethylaminomethyl)-2-methoxyphenoxy]azepan-2-one Traditional Name: 3-[4-(ethylaminomethyl)-2-methoxy-phenoxy]azepan-2-one Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC(=C(C=C1)OC2CCCCNC2=O)OC

Isomeric SMILES

CCNCC1=CC(=C(C=C1)OC2CCCCNC2=O)OC

InChI

InChI=1S/C16H24N2O3/c1-3-17-11-12-7-8-13(15(10-12)20-2)21-14-6-4-5-9-18-16(14)19/h7-8,10,14,17H,3-6,9,11H2,1-2H3,(H,18,19)