7-butyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]azepine-4,8-dione

Systemtic Name: 7-butyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]azepine-4,8-dione Openeye Name: 7-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]azepine-4,8-dione CAS Name: 7-butyl-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]azepine-4,8-dione IUPAC Name: 7-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]azepine-4,8-dione Traditional Name: 7-butyl-6-[4-(2-furoyl)piperazino]-5-methyl-6,7-dihydro-1H-pyrrol[3,2-c]azepine-4,8-quinone Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C(=O)C2=C(C1=O)NC=C2)C)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCC1C(N(C(=O)C2=C(C1=O)NC=C2)C)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H28N4O4/c1-3-4-6-16-19(27)18-15(8-9-23-18)21(28)24(2)20(16)25-10-12-26(13-11-25)22(29)17-7-5-14-30-17/h5,7-9,14,16,20,23H,3-4,6,10-13H2,1-2H3