(3E)-3-[7-[3-(dimethylamino)propoxy]-1H-quinazolin-4-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile

Systemtic Name: (3E)-3-[7-[3-(dimethylamino)propoxy]-1H-quinazolin-4-ylidene]-2-oxidanylidene-1H-indole-5-carbonitrile Openeye Name: (3E)-3-[7-[3-(dimethylamino)propoxy]-1H-quinazolin-4-ylidene]-2-oxo-indoline-5-carbonitrile CAS Name: (3E)-3-[7-[3-(dimethylamino)propoxy]-1H-quinazolin-4-ylidene]-2-oxo-1H-indole-5-carbonitrile IUPAC Name: (3E)-3-[7-[3-(dimethylamino)propoxy]-1H-quinazolin-4-ylidene]-2-oxo-1H-indole-5-carbonitrile Traditional Name: (3E)-3-[7-[3-(dimethylamino)propoxy]-1H-quinazolin-4-ylidene]-2-keto-indoline-5-carbonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC2=C(C=C1)C(=C3C4=C(C=CC(=C4)C#N)NC3=O)N=CN2

Isomeric SMILES

CN(C)CCCOC1=CC2=C(C=C1)/C(=C\3/C4=C(C=CC(=C4)C#N)NC3=O)/N=CN2

InChI

InChI=1S/C22H21N5O2/c1-27(2)8-3-9-29-15-5-6-16-19(11-15)24-13-25-21(16)20-17-10-14(12-23)4-7-18(17)26-22(20)28/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,24,25)(H,26,28)/b21-20+