5-azanyl-3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-methyl-1-(2-oxidanyl-6-phenyl-hexan-3-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methyl-pyrazole-4-carbonitrile Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)N)C(CCCC2=CC=CC=C2)C(C)O

Isomeric SMILES

CC1=NN(C(=C1C#N)N)C(CCCC2=CC=CC=C2)C(C)O

InChI

InChI=1S/C17H22N4O/c1-12-15(11-18)17(19)21(20-12)16(13(2)22)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,16,22H,6,9-10,19H2,1-2H3