5,6-dimethyl-3-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-[[4-(3-oxo-1-piperazinyl)phenyl]methylamino]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]pyridazine-4-carbonitrile Traditional Name: 3-[[4-(3-ketopiperazino)benzyl]amino]-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C#N

InChI

InChI=1S/C18H20N6O/c1-12-13(2)22-23-18(16(12)9-19)21-10-14-3-5-15(6-4-14)24-8-7-20-17(25)11-24/h3-6H,7-8,10-11H2,1-2H3,(H,20,25)(H,21,23)