4-(1-butyl-2,2,4-trimethyl-quinolin-6-yl)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrole-3-carbonitrile

Systemtic Name: 4-(1-butyl-2,2,4-trimethyl-quinolin-6-yl)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrole-3-carbonitrile Openeye Name: 1-benzyl-4-(1-butyl-2,2,4-trimethyl-6-quinolyl)-2,5-dioxo-pyrrole-3-carbonitrile CAS Name: 4-(1-butyl-2,2,4-trimethyl-6-quinolinyl)-2,5-dioxo-1-(phenylmethyl)-3-pyrrolecarbonitrile IUPAC Name: 1-benzyl-4-(1-butyl-2,2,4-trimethylquinolin-6-yl)-2,5-dioxopyrrole-3-carbonitrile Traditional Name: 1-benzyl-4-(1-butyl-2,2,4-trimethyl-6-quinolyl)-2,5-diketo-3-pyrroline-3-carbonitrile Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)C#N)C(=CC1(C)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)C#N)C(=CC1(C)C)C

InChI

InChI=1S/C28H29N3O2/c1-5-6-14-31-24-13-12-21(15-22(24)19(2)16-28(31,3)4)25-23(17-29)26(32)30(27(25)33)18-20-10-8-7-9-11-20/h7-13,15-16H,5-6,14,18H2,1-4H3