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

Systemtic Name: 5-butyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-methyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 5-butyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-methyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione CAS Name: 5-butyl-6-[4-(4-hydroxyphenyl)-1-piperazinyl]-7-methyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 5-butyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-7-methyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 5-butyl-6-[4-(4-hydroxyphenyl)piperazino]-7-methyl-5,6-dihydro-1H-pyrrol[2,3-c]azepine-4,8-quinone Formula: C23H30N4O3 MolecularWeight: 410.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C(=O)C2=C(C1=O)C=CN2)C)N3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCC1C(N(C(=O)C2=C(C1=O)C=CN2)C)N3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H30N4O3/c1-3-4-5-19-21(29)18-10-11-24-20(18)23(30)25(2)22(19)27-14-12-26(13-15-27)16-6-8-17(28)9-7-16/h6-11,19,22,24,28H,3-5,12-15H2,1-2H3