2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]-5,6-dihydrobenzo[h]chromene-3-carbonitrile

Systemtic Name: 2-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]-5,6-dihydrobenzo[h]chromene-3-carbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile CAS Name: 2-oxo-4-[4-(phenylmethyl)-1-piperazinyl]-5,6-dihydrobenzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile Traditional Name: 4-(4-benzylpiperazino)-2-keto-5,6-dihydrobenzo[h]chromene-3-carbonitrile Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)OC(=O)C(=C2N4CCN(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)OC(=O)C(=C2N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C25H23N3O2/c26-16-22-23(28-14-12-27(13-15-28)17-18-6-2-1-3-7-18)21-11-10-19-8-4-5-9-20(19)24(21)30-25(22)29/h1-9H,10-15,17H2