6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-2-prop-2-enyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-allyl-6-[[(1-butylbenzimidazol-2-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[(1-butyl-2-benzimidazolyl)amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(1-butylbenzimidazol-2-yl)amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one Traditional Name: 2-allyl-6-[[(1-butylbenzimidazol-2-yl)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1NC=C3C=CC=C(C3=O)CC=C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1NC=C3C=CC=C(C3=O)CC=C

InChI

InChI=1S/C21H23N3O/c1-3-5-14-24-19-13-7-6-12-18(19)23-21(24)22-15-17-11-8-10-16(9-4-2)20(17)25/h4,6-8,10-13,15H,2-3,5,9,14H2,1H3,(H,22,23)