3-[3-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[3-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-oxo-propyl]-8-methyl-quinazolin-4-one CAS Name: 3-[3-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[3-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one Traditional Name: 3-[3-[4-(adamantane-1-carbonyl)piperazino]-3-keto-propyl]-8-methyl-quinazolin-4-one Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O3/c1-18-3-2-4-22-24(18)28-17-31(25(22)33)6-5-23(32)29-7-9-30(10-8-29)26(34)27-14-19-11-20(15-27)13-21(12-19)16-27/h2-4,17,19-21H,5-16H2,1H3