1-[(4-methylphenyl)methyl]-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one Openeye Name: 5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-1-(p-tolylmethyl)azepan-2-one CAS Name: 1-[(4-methylphenyl)methyl]-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-2-azepanone IUPAC Name: 1-[(4-methylphenyl)methyl]-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one Traditional Name: 1-(4-methylbenzyl)-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N(C)C(C)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N(C)C(C)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c1-19-9-11-21(12-10-19)18-30-16-15-23(13-14-26(30)31)29(3)20(2)24-17-25(28-27-24)22-7-5-4-6-8-22/h4-12,17,20,23H,13-16,18H2,1-3H3,(H,27,28)