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

Systemtic Name: 1-(4-methylpentyl)-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one Openeye Name: 1-isohexyl-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one CAS Name: 1-(4-methylpentyl)-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]-2-azepanone IUPAC Name: 1-(4-methylpentyl)-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one Traditional Name: 1-isohexyl-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one Formula: C24H36N4O MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CCC1=O)N(C)C(C)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCCN1CCC(CCC1=O)N(C)C(C)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C24H36N4O/c1-18(2)9-8-15-28-16-14-21(12-13-24(28)29)27(4)19(3)22-17-23(26-25-22)20-10-6-5-7-11-20/h5-7,10-11,17-19,21H,8-9,12-16H2,1-4H3,(H,25,26)