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

Systemtic Name: 1-methyl-7-[4-(4-phenylpiperidin-1-yl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 1-methyl-7-[4-(4-phenyl-1-piperidyl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione CAS Name: 1-methyl-7-[4-(4-phenyl-1-piperidinyl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 1-methyl-7-[4-(4-phenylpiperidin-1-yl)butyl]-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 1-methyl-7-[4-(4-phenylpiperidino)butyl]-5,6-dihydropyrrol[2,3-c]azepine-4,8-quinone Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=O)N(CCC2=O)CCCCN3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC2=C1C(=O)N(CCC2=O)CCCCN3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c1-25-15-11-21-22(28)12-18-27(24(29)23(21)25)14-6-5-13-26-16-9-20(10-17-26)19-7-3-2-4-8-19/h2-4,7-8,11,15,20H,5-6,9-10,12-14,16-18H2,1H3