3-[4-[4-(7-oxidanyl-2-oxidanylidene-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[4-(7-oxidanyl-2-oxidanylidene-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(7-hydroxy-2-oxo-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(7-hydroxy-2-oxo-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[4-(7-hydroxy-2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(7-hydroxy-2-keto-chromen-6-yl)piperazino]butyl]-1H-indole-5-carbonitrile Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=C(C=C5C(=C4)C=CC(=O)O5)O

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=C(C=C5C(=C4)C=CC(=O)O5)O

InChI

InChI=1S/C26H26N4O3/c27-16-18-4-6-22-21(13-18)20(17-28-22)3-1-2-8-29-9-11-30(12-10-29)23-14-19-5-7-26(32)33-25(19)15-24(23)31/h4-7,13-15,17,28,31H,1-3,8-12H2