6-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-[(3S,5S)-3,5-dimethylpiperidino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42)C

InChI

InChI=1S/C21H23N3O/c1-14-11-15(2)13-24(12-14)21-16-7-3-5-9-18(16)22-20(23-21)17-8-4-6-10-19(17)25/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15-/m0/s1