1-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione

Systemtic Name: 1-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione Openeye Name: 1-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione CAS Name: 1-methyl-5-[3-(4-phenyl-1-piperazinyl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione IUPAC Name: 1-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-6,7-dihydropyrrolo[3,2-c]azepine-4,8-dione Traditional Name: 1-methyl-5-[3-(4-phenylpiperazino)propyl]-6,7-dihydropyrrol[3,2-c]azepine-4,8-quinone Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=O)CCN(C2=O)CCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC2=C1C(=O)CCN(C2=O)CCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2/c1-23-12-8-19-21(23)20(27)9-13-26(22(19)28)11-5-10-24-14-16-25(17-15-24)18-6-3-2-4-7-18/h2-4,6-8,12H,5,9-11,13-17H2,1H3