3-azanyl-5-[3-[[4-(4-chlorophenyl)-4-oxidanylidene-butan-2-ylidene]amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[[4-(4-chlorophenyl)-4-oxidanylidene-butan-2-ylidene]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[[3-(4-chlorophenyl)-1-methyl-3-oxo-propylidene]amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[[4-(4-chlorophenyl)-4-oxobutan-2-ylidene]amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[[4-(4-chlorophenyl)-4-oxobutan-2-ylidene]amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[[3-(4-chlorophenyl)-3-keto-1-methyl-propylidene]amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCC1=C(C(=NN1)N)C#N)CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=NCCCC1=C(C(=NN1)N)C#N)CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN5O/c1-11(9-16(24)12-4-6-13(18)7-5-12)21-8-2-3-15-14(10-19)17(20)23-22-15/h4-7H,2-3,8-9H2,1H3,(H3,20,22,23)