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

Systemtic Name: 5-azanyl-3-methoxy-1-(2-oxidanyl-6-phenyl-hexan-3-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methoxy-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methoxy-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(2-hydroxy-6-phenylhexan-3-yl)-3-methoxypyrazole-4-carbonitrile Traditional Name: 5-amino-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-3-methoxy-pyrazole-4-carbonitrile Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C(=C(C(=N2)OC)C#N)N)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C(=C(C(=N2)OC)C#N)N)O

InChI

InChI=1S/C17H22N4O2/c1-12(22)15(10-6-9-13-7-4-3-5-8-13)21-16(19)14(11-18)17(20-21)23-2/h3-5,7-8,12,15,22H,6,9-10,19H2,1-2H3