3-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylbicyclo[3.3.1]nonan-9-one Openeye Name: 3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one CAS Name: 3-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Traditional Name: 3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H29N5O2/c24-22-18-6-1-2-7-19(18)25-20(26-22)14-27-8-10-28(11-9-27)23(30)17-12-15-4-3-5-16(13-17)21(15)29/h1-2,6-7,15-17H,3-5,8-14H2,(H2,24,25,26)