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

Systemtic Name: 5-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-8-oxidanyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 5-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 5-butyl-7-[4-(4-fluorophenyl)-1-piperazinyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 5-butyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 5-butyl-7-[4-(4-fluorophenyl)piperazino]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C23H31FN4O2 MolecularWeight: 414.516243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(C(C2=C(C1=O)C=CN2C)O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1CC(C(C2=C(C1=O)C=CN2C)O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H31FN4O2/c1-3-4-10-28-16-20(22(29)21-19(23(28)30)9-11-25(21)2)27-14-12-26(13-15-27)18-7-5-17(24)6-8-18/h5-9,11,20,22,29H,3-4,10,12-16H2,1-2H3