2-chloranyl-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)pyridine-3-carboxamide Openeye Name: 2-chloro-N-(2-propylidene-3-vinyl-1H-2,4-benzodiazepin-2-ium-5-ylidene)pyridine-3-carboxamide CAS Name: 2-chloro-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)pyridine-3-carboxamide Traditional Name: 2-chloro-N-(2-propylidene-3-vinyl-1H-2,4-benzodiazepin-2-ium-5-ylidene)nicotinamide Formula: C20H18ClN4O+ MolecularWeight: 365.83612

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Descriptors Computed from Structure

Canonical SMILES:

CCC=[N+]1CC2=CC=CC=C2C(=NC(=O)C3=C(N=CC=C3)Cl)N=C1C=C

Isomeric SMILES

CCC=[N+]1CC2=CC=CC=C2C(=NC(=O)C3=C(N=CC=C3)Cl)N=C1C=C

InChI

InChI=1S/C20H18ClN4O/c1-3-12-25-13-14-8-5-6-9-15(14)19(23-17(25)4-2)24-20(26)16-10-7-11-22-18(16)21/h4-12H,2-3,13H2,1H3/q+1