2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile CAS Name: 2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-7-methoxyquinoline-3-carbonitrile Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazino]-7-methoxy-quinoline-3-carbonitrile Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)OC)C=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)OC)C=C3C#N

InChI

InChI=1S/C26H28N4O2/c1-26(2,3)21-8-5-18(6-9-21)25(31)30-13-11-29(12-14-30)24-20(17-27)15-19-7-10-22(32-4)16-23(19)28-24/h5-10,15-16H,11-14H2,1-4H3