N-phenethyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-phenethyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-phenethyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c31-24(26-13-12-21-8-3-1-4-9-21)20-30-15-7-14-29(16-17-30)19-23-18-27-28-25(23)22-10-5-2-6-11-22/h1-6,8-11,18H,7,12-17,19-20H2,(H,26,31)(H,27,28)