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

Systemtic Name: N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-4-methyl-2-(4-propan-2-ylphenyl)benzamide Openeye Name: N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-isopropylphenyl)-4-methyl-benzamide CAS Name: N-[4-[4-[(3-cyanophenyl)methyl]-1-piperazinyl]phenyl]-4-methyl-2-(4-propan-2-ylphenyl)benzamide IUPAC Name: N-[4-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]phenyl]-4-methyl-2-(4-propan-2-ylphenyl)benzamide Traditional Name: N-[4-[4-(3-cyanobenzyl)piperazino]phenyl]-4-methyl-2-p-cumenyl-benzamide Formula: C35H36N4O MolecularWeight: 528.68654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC(=C4)C#N)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC(=C4)C#N)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C35H36N4O/c1-25(2)29-8-10-30(11-9-29)34-21-26(3)7-16-33(34)35(40)37-31-12-14-32(15-13-31)39-19-17-38(18-20-39)24-28-6-4-5-27(22-28)23-36/h4-16,21-22,25H,17-20,24H2,1-3H3,(H,37,40)