11-[4-(dimethylamino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[4-(dimethylamino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[4-(dimethylamino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[4-(dimethylamino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[4-(dimethylamino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[4-(dimethylamino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCN1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3

Isomeric SMILES

CN(C)CC#CCN1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3

InChI

InChI=1S/C18H18N4O/c1-21(2)12-5-6-13-22-16-10-4-3-8-14(16)18(23)20-15-9-7-11-19-17(15)22/h3-4,7-11H,12-13H2,1-2H3,(H,20,23)