10-[1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrol-5-yl]-2-methoxy-phenothiazine

Systemtic Name: 10-[1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrol-5-yl]-2-methoxy-phenothiazine Openeye Name: 10-[1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrol-5-yl]-2-methoxy-phenothiazine CAS Name: 10-[1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrol-5-yl]-2-methoxyphenothiazine IUPAC Name: 10-[1-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyrrol-5-yl]-2-methoxyphenothiazine Traditional Name: 2-methoxy-10-[1-(1-pyrrolin-2-yl)-2-pyrrolin-2-yl]phenothiazine Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C4=CCCN4C5=NCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C4=CCCN4C5=NCCC5

InChI

InChI=1S/C21H21N3OS/c1-25-15-10-11-19-17(14-15)24(16-6-2-3-7-18(16)26-19)21-9-5-13-23(21)20-8-4-12-22-20/h2-3,6-7,9-11,14H,4-5,8,12-13H2,1H3