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

Systemtic Name: 6-[4-[(2S)-2-ethylpiperidin-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-[(2S)-2-ethyl-1-piperidyl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[(2S)-2-ethyl-1-piperidinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-[(2S)-2-ethylpiperidin-1-yl]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-[(2S)-2-ethylpiperidino]-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:

CCC1CCCCN1C2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42

Isomeric SMILES

CC[C@H]1CCCCN1C2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42

InChI

InChI=1S/C21H23N3O/c1-2-15-9-7-8-14-24(15)21-16-10-3-5-12-18(16)22-20(23-21)17-11-4-6-13-19(17)25/h3-6,10-13,15,22H,2,7-9,14H2,1H3/t15-/m0/s1