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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC(=C5)C#N

InChI

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