N-cyclopropyl-4-methyl-3-[6-[(3R)-3-methyl-4-propan-2-yl-piperazin-1-yl]-4-oxidanylidene-quinazolin-3-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-[(3R)-3-methyl-4-propan-2-yl-piperazin-1-yl]-4-oxidanylidene-quinazolin-3-yl]benzamide Openeye Name: N-cyclopropyl-3-[6-[(3R)-4-isopropyl-3-methyl-piperazin-1-yl]-4-oxo-quinazolin-3-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[(3R)-3-methyl-4-propan-2-yl-1-piperazinyl]-4-oxo-3-quinazolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide Traditional Name: N-cyclopropyl-3-[6-[(3R)-4-isopropyl-3-methyl-piperazino]-4-keto-quinazolin-3-yl]-4-methyl-benzamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C)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(CCN1C(C)C)C2=CC3=C(C=C2)N=CN(C3=O)C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C27H33N5O2/c1-17(2)31-12-11-30(15-19(31)4)22-9-10-24-23(14-22)27(34)32(16-28-24)25-13-20(6-5-18(25)3)26(33)29-21-7-8-21/h5-6,9-10,13-14,16-17,19,21H,7-8,11-12,15H2,1-4H3,(H,29,33)/t19-/m1/s1