(Z)-3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-bromanyl-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[3-bromo-5-ethoxy-4-(m-tolylmethoxy)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-[3-bromo-5-ethoxy-4-(3-methylbenzyl)oxy-phenyl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C30H30BrN3O3 MolecularWeight: 560.4815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Br)OCC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)N2CCN(CC2)C3=CC=CC=C3)Br)OCC4=CC=CC(=C4)C

InChI

InChI=1S/C30H30BrN3O3/c1-3-36-28-19-24(18-27(31)29(28)37-21-23-9-7-8-22(2)16-23)17-25(20-32)30(35)34-14-12-33(13-15-34)26-10-5-4-6-11-26/h4-11,16-19H,3,12-15,21H2,1-2H3/b25-17-