2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-quinazolin-4-yloxy-heptanenitrile

Systemtic Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-quinazolin-4-yloxy-heptanenitrile Openeye Name: 2-isopropyl-2-phenyl-6-piperazin-1-yl-7-quinazolin-4-yloxy-heptanenitrile CAS Name: 2-phenyl-6-(1-piperazinyl)-2-propan-2-yl-7-(4-quinazolinyloxy)heptanenitrile IUPAC Name: 2-phenyl-6-piperazin-1-yl-2-propan-2-yl-7-quinazolin-4-yloxyheptanenitrile Traditional Name: 2-isopropyl-2-phenyl-6-piperazino-7-quinazolin-4-yloxy-enanthonitrile Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=NC=NC2=CC=CC=C21)N3CCNCC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCC(COC1=NC=NC2=CC=CC=C21)N3CCNCC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H35N5O/c1-22(2)28(20-29,23-9-4-3-5-10-23)14-8-11-24(33-17-15-30-16-18-33)19-34-27-25-12-6-7-13-26(25)31-21-32-27/h3-7,9-10,12-13,21-22,24,30H,8,11,14-19H2,1-2H3