3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-bromanyl-quinazolin-4-one

Systemtic Name: 3-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-bromanyl-quinazolin-4-one Openeye Name: 3-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-6-bromo-quinazolin-4-one CAS Name: 3-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-6-bromoquinazolin-4-one Traditional Name: 3-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-6-bromo-quinazolin-4-one Formula: C23H29BrN4O3 MolecularWeight: 489.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C23H29BrN4O3/c24-18-5-6-20-19(15-18)23(31)28(16-25-20)14-9-21(29)26-12-7-17(8-13-26)22(30)27-10-3-1-2-4-11-27/h5-6,15-17H,1-4,7-14H2