3-[4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O3/c32-24(6-3-7-31-18-28-23-5-2-1-4-22(23)25(31)33)29-8-10-30(11-9-29)26(34)27-15-19-12-20(16-27)14-21(13-19)17-27/h1-2,4-5,18-21H,3,6-17H2