4-butyl-2-[[(5E)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1,4,5,6,7,8,9,10-octahydrocyclonona[b]pyrrole hydrochloride

Systemtic Name: 4-butyl-2-[[(5E)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1,4,5,6,7,8,9,10-octahydrocyclonona[b]pyrrole hydrochloride Openeye Name: 4-butyl-2-[[(5E)-3-methoxy-5-pyrrol-2-ylidene-pyrrol-2-ylidene]methyl]-1,4,5,6,7,8,9,10-octahydrocyclonona[b]pyrrole hydrochloride CAS Name: 4-butyl-2-[[(5E)-3-methoxy-5-(2-pyrrolylidene)-2-pyrrolylidene]methyl]-1,4,5,6,7,8,9,10-octahydrocyclonona[b]pyrrole hydrochloride IUPAC Name: 4-butyl-2-[[(5E)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-1,4,5,6,7,8,9,10-octahydrocyclonona[b]pyrrole hydrochloride Traditional Name: 4-butyl-2-[[(5E)-3-methoxy-5-pyrrol-2-ylidene-3-pyrrolin-2-ylidene]methyl]-1,4,5,6,7,8,9,10-octahydrocyclonona[b]pyrrole hydrochloride Formula: C25H34ClN3O MolecularWeight: 428.00996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCCCC2=C1C=C(N2)C=C3C(=CC(=C4C=CC=N4)N3)OC.Cl

Isomeric SMILES

CCCCC1CCCCCCC2=C1C=C(N2)C=C3C(=C/C(=C\4/C=CC=N4)/N3)OC.Cl

InChI

InChI=1S/C25H33N3O.ClH/c1-3-4-10-18-11-7-5-6-8-12-21-20(18)15-19(27-21)16-24-25(29-2)17-23(28-24)22-13-9-14-26-22;/h9,13-18,27-28H,3-8,10-12H2,1-2H3;1H/b23-22+,24-16?;