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

Systemtic Name: 1-butanoyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 4-benzyl-1-butanoyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide CAS Name: N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-(1-oxobutyl)-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-benzyl-1-butanoyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide Traditional Name: 4-benzyl-1-butyryl-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]piperazine-2-carboxamide Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N6O2/c1-2-6-28(36)35-16-15-33(19-24-7-4-3-5-8-24)21-27(35)29(37)32-14-13-26-18-31-22-34(26)20-25-11-9-23(17-30)10-12-25/h3-5,7-12,18,22,27H,2,6,13-16,19-21H2,1H3,(H,32,37)