2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-quinazolin-4-yl-piperazin-1-yl)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[3,5-dimethyl-4-(4-quinazolinyl)-1-piperazinyl]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-quinazolin-4-ylpiperazin-1-yl)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-quinazolin-4-yl-piperazino)-N-[2-methyl-5-(piperazinomethyl)phenyl]acetamide Formula: C28H37N7O MolecularWeight: 487.63968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C2=NC=NC3=CC=CC=C32)C)CC(=O)NC4=C(C=CC(=C4)CN5CCNCC5)C

Isomeric SMILES

CC1CN(CC(N1C2=NC=NC3=CC=CC=C32)C)CC(=O)NC4=C(C=CC(=C4)CN5CCNCC5)C

InChI

InChI=1S/C28H37N7O/c1-20-8-9-23(17-33-12-10-29-11-13-33)14-26(20)32-27(36)18-34-15-21(2)35(22(3)16-34)28-24-6-4-5-7-25(24)30-19-31-28/h4-9,14,19,21-22,29H,10-13,15-18H2,1-3H3,(H,32,36)