(6E)-6-[4-(cyclohexylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(cyclohexylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(cyclohexylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(cyclohexylamino)-1H-quinazolin-2-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(cyclohexylamino)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(cyclohexylamino)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)NC4CCCCC4)C1=O

Isomeric SMILES

COC1=CC=C/C(=C\2/NC3=CC=CC=C3C(=N2)NC4CCCCC4)/C1=O

InChI

InChI=1S/C21H23N3O2/c1-26-18-13-7-11-16(19(18)25)21-23-17-12-6-5-10-15(17)20(24-21)22-14-8-3-2-4-9-14/h5-7,10-14,23H,2-4,8-9H2,1H3,(H,22,24)/b21-16+