3-[[3,5-bis(bromanyl)phenyl]methoxy]-4-piperazin-1-yl-3,4-dihydro-2H-chromene-6-carbonitrile

Systemtic Name: 3-[[3,5-bis(bromanyl)phenyl]methoxy]-4-piperazin-1-yl-3,4-dihydro-2H-chromene-6-carbonitrile Openeye Name: 3-[(3,5-dibromophenyl)methoxy]-4-piperazin-1-yl-chromane-6-carbonitrile CAS Name: 3-[(3,5-dibromophenyl)methoxy]-4-(1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-[(3,5-dibromophenyl)methoxy]-4-piperazin-1-yl-3,4-dihydro-2H-chromene-6-carbonitrile Traditional Name: 3-(3,5-dibromobenzyl)oxy-4-piperazino-chroman-6-carbonitrile Formula: C21H21Br2N3O2 MolecularWeight: 507.21834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2C(COC3=C2C=C(C=C3)C#N)OCC4=CC(=CC(=C4)Br)Br

Isomeric SMILES

C1CN(CCN1)C2C(COC3=C2C=C(C=C3)C#N)OCC4=CC(=CC(=C4)Br)Br

InChI

InChI=1S/C21H21Br2N3O2/c22-16-7-15(8-17(23)10-16)12-27-20-13-28-19-2-1-14(11-24)9-18(19)21(20)26-5-3-25-4-6-26/h1-2,7-10,20-21,25H,3-6,12-13H2