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

Systemtic Name: (6E)-6-[4-(azepan-1-yl)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(azepan-1-yl)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(1-azepanyl)-1H-quinazolin-2-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(azepan-1-yl)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(azepan-1-yl)-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)N4CCCCCC4)C1=O

Isomeric SMILES

COC1=CC=C/C(=C\2/NC3=CC=CC=C3C(=N2)N4CCCCCC4)/C1=O

InChI

InChI=1S/C21H23N3O2/c1-26-18-12-8-10-16(19(18)25)20-22-17-11-5-4-9-15(17)21(23-20)24-13-6-2-3-7-14-24/h4-5,8-12,22H,2-3,6-7,13-14H2,1H3/b20-16+