4-[[3,5-bis(bromanyl)phenyl]methoxy]-5-piperazin-1-yl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile

Systemtic Name: 4-[[3,5-bis(bromanyl)phenyl]methoxy]-5-piperazin-1-yl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Openeye Name: 4-[(3,5-dibromophenyl)methoxy]-5-piperazin-1-yl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile CAS Name: 4-[(3,5-dibromophenyl)methoxy]-5-(1-piperazinyl)-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile IUPAC Name: 4-[(3,5-dibromophenyl)methoxy]-5-piperazin-1-yl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Traditional Name: 4-(3,5-dibromobenzyl)oxy-5-piperazino-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile Formula: C22H23Br2N3O2 MolecularWeight: 521.24492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C#N)C(C1OCC3=CC(=CC(=C3)Br)Br)N4CCNCC4

Isomeric SMILES

C1COC2=C(C=C(C=C2)C#N)C(C1OCC3=CC(=CC(=C3)Br)Br)N4CCNCC4

InChI

InChI=1S/C22H23Br2N3O2/c23-17-9-16(10-18(24)12-17)14-29-21-3-8-28-20-2-1-15(13-25)11-19(20)22(21)27-6-4-26-5-7-27/h1-2,9-12,21-22,26H,3-8,14H2