4-azanylidene-2-(4-bromophenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile

Systemtic Name: 4-azanylidene-2-(4-bromophenyl)-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile Openeye Name: 2-(4-bromophenyl)-4-imino-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile CAS Name: 2-(4-bromophenyl)-4-imino-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile IUPAC Name: 2-(4-bromophenyl)-4-imino-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile Traditional Name: 2-(4-bromophenyl)-4-imino-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C22H18BrN3O2/c1-27-20-9-14-7-8-26-19(17(14)11-21(20)28-2)10-16(18(12-24)22(26)25)13-3-5-15(23)6-4-13/h3-6,9-11,25H,7-8H2,1-2H3