3-[4-[4-(3-azanyl-2-oxidanylidene-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(3-azanyl-2-oxidanylidene-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(3-amino-2-oxo-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(3-amino-2-oxo-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(3-amino-2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(3-amino-2-keto-chromen-6-yl)piperazino]butyl]-1H-indole-5-carbonitrile Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=O)C(=C5)N

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=O)C(=C5)N

InChI

InChI=1S/C26H27N5O2/c27-16-18-4-6-24-22(13-18)19(17-29-24)3-1-2-8-30-9-11-31(12-10-30)21-5-7-25-20(14-21)15-23(28)26(32)33-25/h4-7,13-15,17,29H,1-3,8-12,28H2