butyl-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C21H27N5O2/c1-2-3-12-26(14-19(27)25-21(15-22)10-6-7-11-21)13-18-23-17-9-5-4-8-16(17)20(28)24-18/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,25,27)(H,23,24,28)/p+1