N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-ethylphenyl)benzamide

Systemtic Name: N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-ethylphenyl)benzamide Openeye Name: N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-ethylphenyl)benzamide CAS Name: N-[4-[4-[(3-cyanophenyl)methyl]-1-piperazinyl]phenyl]-2-(4-ethylphenyl)benzamide IUPAC Name: N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-ethylphenyl)benzamide Traditional Name: N-[4-[4-(3-cyanobenzyl)piperazino]phenyl]-2-(4-ethylphenyl)benzamide Formula: C33H32N4O MolecularWeight: 500.63338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C33H32N4O/c1-2-25-10-12-28(13-11-25)31-8-3-4-9-32(31)33(38)35-29-14-16-30(17-15-29)37-20-18-36(19-21-37)24-27-7-5-6-26(22-27)23-34/h3-17,22H,2,18-21,24H2,1H3,(H,35,38)