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

Systemtic Name: 5-butyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 5-butyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 5-butyl-8-[4-(4-fluorophenyl)-1-piperazinyl]-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 5-butyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 5-butyl-8-[4-(4-fluorophenyl)piperazino]-1-methyl-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C23H31FN4O MolecularWeight: 398.516843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C2=C(C1=O)C=CN2C)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1CCC(C2=C(C1=O)C=CN2C)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H31FN4O/c1-3-4-11-28-13-10-21(22-20(23(28)29)9-12-25(22)2)27-16-14-26(15-17-27)19-7-5-18(24)6-8-19/h5-9,12,21H,3-4,10-11,13-17H2,1-2H3