10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-phenothiazine

Systemtic Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-phenothiazine Openeye Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-pyridyl)phenothiazine CAS Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-ylphenothiazine IUPAC Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-ylphenothiazine Traditional Name: 10-[8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-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=CC=NC=C5)SC6=CC=CC=C63)C

Isomeric SMILES

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

InChI

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