5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxidanyl-7-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]azepin-8-one

Systemtic Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxidanyl-7-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]azepin-8-one Openeye Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxy-1-methyl-7-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]azepin-8-one CAS Name: 5-[4-(4-fluorophenyl)-1-piperazinyl]-4-hydroxy-1-methyl-7-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]azepin-8-one IUPAC Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]-4-hydroxy-1-methyl-7-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]azepin-8-one Traditional Name: 5-[4-(4-fluorophenyl)piperazino]-4-hydroxy-1-methyl-7-propyl-5,6-dihydro-4H-pyrrol[2,3-c]azepin-8-one Formula: C22H29FN4O2 MolecularWeight: 400.489663

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(C(C2=C(C1=O)N(C=C2)C)O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1CC(C(C2=C(C1=O)N(C=C2)C)O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN4O2/c1-3-9-27-15-19(21(28)18-8-10-24(2)20(18)22(27)29)26-13-11-25(12-14-26)17-6-4-16(23)5-7-17/h4-8,10,19,21,28H,3,9,11-15H2,1-2H3