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

Systemtic Name: N-cyclopropyl-3-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxo-quinazolin-3-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-4-oxo-3-quinazolinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[(3S,5R)-3,5-dimethylpiperazino]-4-keto-quinazolin-3-yl]-4-methyl-benzamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC3=C(C=C2)N=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC3=C(C=C2)N=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C25H29N5O2/c1-15-4-5-18(24(31)28-19-6-7-19)10-23(15)30-14-26-22-9-8-20(11-21(22)25(30)32)29-12-16(2)27-17(3)13-29/h4-5,8-11,14,16-17,19,27H,6-7,12-13H2,1-3H3,(H,28,31)/t16-,17+