1-[4-(4-methoxyphenyl)-2-phenyl-3-piperazin-1-yl-azepin-1-yl]butan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)-2-phenyl-3-piperazin-1-yl-azepin-1-yl]butan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)-2-phenyl-3-piperazin-1-yl-azepin-1-yl]butan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-2-phenyl-3-(1-piperazinyl)-1-azepinyl]-1-butanone IUPAC Name: 1-[4-(4-methoxyphenyl)-2-phenyl-3-piperazin-1-ylazepin-1-yl]butan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)-2-phenyl-3-piperazino-azepin-1-yl]butan-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=CC=C(C(=C1C2=CC=CC=C2)N3CCNCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC(=O)N1C=CC=C(C(=C1C2=CC=CC=C2)N3CCNCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O2/c1-3-8-25(31)30-18-7-11-24(21-12-14-23(32-2)15-13-21)27(29-19-16-28-17-20-29)26(30)22-9-5-4-6-10-22/h4-7,9-15,18,28H,3,8,16-17,19-20H2,1-2H3