10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-phenothiazine

Systemtic Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-phenothiazine Openeye Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-pyridyl)phenothiazine CAS Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-pyridinyl)phenothiazine IUPAC Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-ylphenothiazine Traditional Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(3-pyridyl)phenothiazine Formula: C29H31N3S MolecularWeight: 453.64154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2CCC1CC(C2)N3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)C

Isomeric SMILES

CC(=CCN1C2CCC1CC(C2)N3C4=C(C=C(C=C4)C5=CN=CC=C5)SC6=CC=CC=C63)C

InChI

InChI=1S/C29H31N3S/c1-20(2)13-15-31-23-10-11-24(31)18-25(17-23)32-26-7-3-4-8-28(26)33-29-16-21(9-12-27(29)32)22-6-5-14-30-19-22/h3-9,12-14,16,19,23-25H,10-11,15,17-18H2,1-2H3