4-butoxy-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)benzamide

Systemtic Name: 4-butoxy-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)benzamide Openeye Name: 4-butoxy-N-(2-propylidene-3-vinyl-1H-2,4-benzodiazepin-2-ium-5-ylidene)benzamide CAS Name: 4-butoxy-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)benzamide IUPAC Name: 4-butoxy-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)benzamide Traditional Name: 4-butoxy-N-(2-propylidene-3-vinyl-1H-2,4-benzodiazepin-2-ium-5-ylidene)benzamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3C[N+](=CCC)C(=N2)C=C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3C[N+](=CCC)C(=N2)C=C

InChI

InChI=1S/C25H28N3O2/c1-4-7-17-30-21-14-12-19(13-15-21)25(29)27-24-22-11-9-8-10-20(22)18-28(16-5-2)23(6-3)26-24/h6,8-16H,3-5,7,17-18H2,1-2H3/q+1