3-[6-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]-N-ethyl-4-methyl-benzamide

Systemtic Name: 3-[6-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]-N-ethyl-4-methyl-benzamide Openeye Name: 3-[6-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]-N-ethyl-4-methyl-benzamide CAS Name: 3-[6-[[(2S,5R)-2,5-dimethyl-1-piperazinyl]methyl]-4-oxo-3-quinazolinyl]-N-ethyl-4-methylbenzamide IUPAC Name: 3-[6-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]-N-ethyl-4-methylbenzamide Traditional Name: 3-[6-[[(2S,5R)-2,5-dimethylpiperazino]methyl]-4-keto-quinazolin-3-yl]-N-ethyl-4-methyl-benzamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)C)N2C=NC3=C(C2=O)C=C(C=C3)CN4CC(NCC4C)C

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)C)N2C=NC3=C(C2=O)C=C(C=C3)CN4C[C@H](NC[C@@H]4C)C

InChI

InChI=1S/C25H31N5O2/c1-5-26-24(31)20-8-6-16(2)23(11-20)30-15-28-22-9-7-19(10-21(22)25(30)32)14-29-13-17(3)27-12-18(29)4/h6-11,15,17-18,27H,5,12-14H2,1-4H3,(H,26,31)/t17-,18+/m1/s1