3,5-dibutyl-10-(2-chloranylethanoyl)pyrrolo[2,3-c][1,5]benzodiazepin-4-one

Systemtic Name: 3,5-dibutyl-10-(2-chloranylethanoyl)pyrrolo[2,3-c][1,5]benzodiazepin-4-one Openeye Name: 3,5-dibutyl-10-(2-chloroacetyl)pyrrolo[2,3-c][1,5]benzodiazepin-4-one CAS Name: 3,5-dibutyl-10-(2-chloro-1-oxoethyl)-4-pyrrolo[2,3-c][1,5]benzodiazepinone IUPAC Name: 3,5-dibutyl-10-(2-chloroacetyl)pyrrolo[2,3-c][1,5]benzodiazepin-4-one Traditional Name: 3,5-dibutyl-10-(2-chloroacetyl)pyrrolo[2,3-c][1,5]benzodiazepin-4-one Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC2=C1C(=O)N(C3=CC=CC=C3N2C(=O)CCl)CCCC

Isomeric SMILES

CCCCN1C=CC2=C1C(=O)N(C3=CC=CC=C3N2C(=O)CCl)CCCC

InChI

InChI=1S/C21H26ClN3O2/c1-3-5-12-23-14-11-18-20(23)21(27)24(13-6-4-2)16-9-7-8-10-17(16)25(18)19(26)15-22/h7-11,14H,3-6,12-13,15H2,1-2H3