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

Systemtic Name: 1-[4-(2-methoxyphenyl)-2-piperazin-1-yl-azepin-1-yl]butan-1-one Openeye Name: 1-[4-(2-methoxyphenyl)-2-piperazin-1-yl-azepin-1-yl]butan-1-one CAS Name: 1-[4-(2-methoxyphenyl)-2-(1-piperazinyl)-1-azepinyl]-1-butanone IUPAC Name: 1-[4-(2-methoxyphenyl)-2-piperazin-1-ylazepin-1-yl]butan-1-one Traditional Name: 1-[4-(2-methoxyphenyl)-2-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=C(C=C1N2CCNCC2)C3=CC=CC=C3OC

Isomeric SMILES

CCCC(=O)N1C=CC=C(C=C1N2CCNCC2)C3=CC=CC=C3OC

InChI

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