1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]butan-1-one

Systemtic Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]butan-1-one Openeye Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]butan-1-one CAS Name: 1-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-azepinyl]-1-butanone IUPAC Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]butan-1-one Traditional Name: 1-[2-[4-(2-methoxyphenyl)piperazino]azepin-1-yl]butan-1-one Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCC(=O)N1C=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O2/c1-3-9-21(25)24-13-8-4-5-12-20(24)23-16-14-22(15-17-23)18-10-6-7-11-19(18)26-2/h4-8,10-13H,3,9,14-17H2,1-2H3