1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzylpiperazine-1-carbonyl)-1-indan-5-yl-pyrrole-3-carbonitrile CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzylpiperazine-1-carbonyl)-1-(2,3-dihydro-1H-inden-5-yl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzylpiperazine-1-carbonyl)-1-indan-5-yl-pyrrole-3-carbonitrile Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)N3C=CC(=C3C(=O)N4CCN(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)N3C=CC(=C3C(=O)N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C26H26N4O/c27-18-23-11-12-30(24-10-9-21-7-4-8-22(21)17-24)25(23)26(31)29-15-13-28(14-16-29)19-20-5-2-1-3-6-20/h1-3,5-6,9-12,17H,4,7-8,13-16,19H2