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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=CC=C(C(=C1C2=CC=CC=C2)N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CCCC(=O)N1C=CC=C(C(=C1C2=CC=CC=C2)N3CCNCC3)C4=CC=CC=C4OC

InChI

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