N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide Traditional Name: 4-benzyl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]piperazine-2-carboxamide Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O/c26-14-20-6-8-22(9-7-20)17-31-19-27-15-23(31)10-11-29-25(32)24-18-30(13-12-28-24)16-21-4-2-1-3-5-21/h1-9,15,19,24,28H,10-13,16-18H2,(H,29,32)