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

Systemtic Name: 7-(phenylmethyl)-1-[5-(4-phenylpiperazin-1-yl)pentyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 7-benzyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione CAS Name: 7-(phenylmethyl)-1-[5-(4-phenyl-1-piperazinyl)pentyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 7-benzyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 7-benzyl-1-[5-(4-phenylpiperazino)pentyl]-5,6-dihydropyrrol[2,3-c]azepine-4,8-quinone Formula: C30H36N4O2 MolecularWeight: 484.63244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C(C1=O)C=CN2CCCCCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C2=C(C1=O)C=CN2CCCCCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O2/c35-28-15-19-34(24-25-10-4-1-5-11-25)30(36)29-27(28)14-18-33(29)17-9-3-8-16-31-20-22-32(23-21-31)26-12-6-2-7-13-26/h1-2,4-7,10-14,18H,3,8-9,15-17,19-24H2