6-[4-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O MolecularWeight: 333.42682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42

InChI

InChI=1S/C21H23N3O/c1-14-8-2-5-11-17(14)22-20-15-9-3-6-12-18(15)23-21(24-20)16-10-4-7-13-19(16)25/h3-4,6-7,9-10,12-14,17,23H,2,5,8,11H2,1H3,(H,22,24)/t14-,17-/m1/s1