4-[[[3,4-bis(oxidanylidene)-2-(pentan-3-ylamino)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[3,4-bis(oxidanylidene)-2-(pentan-3-ylamino)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[2-(1-ethylpropylamino)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]benzonitrile CAS Name: 4-[[[3,4-dioxo-2-(pentan-3-ylamino)-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[3,4-dioxo-2-(pentan-3-ylamino)cyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[2-(1-ethylpropylamino)-3,4-diketo-cyclobuten-1-yl]amino]methyl]benzonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(CC)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H19N3O2/c1-3-13(4-2)20-15-14(16(21)17(15)22)19-10-12-7-5-11(9-18)6-8-12/h5-8,13,19-20H,3-4,10H2,1-2H3