4-[4-[(4-oxidanylcyclohexyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(4-oxidanylcyclohexyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzenecarbonitrile Openeye Name: 4-[4-[(4-hydroxycyclohexyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzonitrile CAS Name: 4-[4-[(4-hydroxycyclohexyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzonitrile IUPAC Name: 4-[4-[(4-hydroxycyclohexyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzonitrile Traditional Name: 4-[4-[(4-hydroxycyclohexyl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]benzonitrile Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)C3=CC=C(C=C3)C#N)NC4CCC(CC4)O

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)C3=CC=C(C=C3)C#N)NC4CCC(CC4)O

InChI

InChI=1S/C21H24N4O/c22-13-14-5-7-15(8-6-14)20-24-19-4-2-1-3-18(19)21(25-20)23-16-9-11-17(26)12-10-16/h5-8,16-17,26H,1-4,9-12H2,(H,23,24,25)